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Carbon-24_clean

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Carbon-24
C-142775-4731-45
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.8021] _cell_length_b [2.4401] _cell_length_c [6.2359] _cell_angle_alpha [90.0000] _cell_angle_beta [119.2744] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [156.6458] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0116 0.5000 0.9025 1.0 C C1 4 0.0342 0.0000 0.8203 1.0 C C2 4 0.0644 0.0000 0.6190 1.0 C C3 4 0.1521 0.5000 0.6602 1.0 C C4 4 0.2310 0.5000 0.5262 1.0 C C5 4 0.2398 0.5000 0.9384 1.0 ]
Carbon-24
C-189709-289-47
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.1003] _cell_length_b [3.6227] _cell_length_c [4.7813] _cell_angle_alpha [98.2717] _cell_angle_beta [108.0610] _cell_angle_gamma [111.2463] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [45.5519] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1507 0.0164 0.6551 1.0 C C1 2 0.1513 0.6352 0.6535 1.0 C C2 2 0.3441 0.4205 0.8460 1.0 ]
Carbon-24
C-145298-5550-15
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.9634] _cell_length_b [4.4169] _cell_length_c [4.3368] _cell_angle_alpha [90.0000] _cell_angle_beta [90.5833] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [95.0697] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0106 0.1769 0.6750 1.0 C C1 8 0.2390 0.3221 0.8421 1.0 ]
Carbon-24
C-142751-9264-44
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.6993] _cell_length_b [4.2032] _cell_length_c [4.2678] _cell_angle_alpha [60.6956] _cell_angle_beta [76.2487] _cell_angle_gamma [68.5201] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [53.7094] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0146 0.8938 0.9176 1.0 C C1 2 0.3840 0.0343 0.1639 1.0 C C2 2 0.4293 0.6952 0.8390 1.0 C C3 2 0.4708 0.6657 0.5006 1.0 ]
Carbon-24
C-126134-7012-38
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.3706] _cell_length_b [3.4772] _cell_length_c [4.1966] _cell_angle_alpha [77.1741] _cell_angle_beta [78.5191] _cell_angle_gamma [64.3490] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [42.9336] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0793 0.0783 0.8438 1.0 C C1 2 0.1350 0.5211 0.3464 1.0 C C2 2 0.4793 0.8637 0.6533 1.0 ]
Carbon-24
C-92118-6527-10
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [2.5125] _cell_length_b [4.1131] _cell_length_c [6.8474] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [71] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.7626] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.3157 0.3059 1.0 C C1 4 0.0000 0.1652 0.5000 1.0 ]
Carbon-24
C-53818-5632-3
C
data_[C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4237] _cell_length_b [2.4273] _cell_length_c [3.0364] _cell_angle_alpha [70.0243] _cell_angle_beta [76.8690] _cell_angle_gamma [60.1340] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [14.5238] _cell_formula_units_Z [2] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.3334 0.8335 0.0006 1.0 ]
Carbon-24
C-92114-1640-7
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.9760] _cell_length_b [4.2437] _cell_length_c [3.6298] _cell_angle_alpha [90.0000] _cell_angle_beta [109.1845] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.3924] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1066 0.3196 0.3814 1.0 C C1 4 0.0000 0.1577 0.0000 1.0 ]
Carbon-24
C-41316-1619-34
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [I2_12_12_1] _cell_length_a [3.3959] _cell_length_b [3.4698] _cell_length_c [9.8032] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [24] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [115.5129] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1770 0.0814 0.0726 1.0 C C1 4 0.0000 0.2500 0.3450 1.0 C C2 4 0.0000 0.2500 0.8408 1.0 C C3 4 0.2310 0.5000 0.7500 1.0 ]
Carbon-24
C-34602-3867-44
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.5049] _cell_length_b [3.8533] _cell_length_c [4.6701] _cell_angle_alpha [97.6215] _cell_angle_beta [99.9712] _cell_angle_gamma [101.3507] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [59.9899] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0687 0.0669 0.3843 1.0 C C1 2 0.0917 0.0922 0.9053 1.0 C C2 2 0.3781 0.3789 0.3791 1.0 C C3 2 0.3810 0.3860 0.0658 1.0 ]
Carbon-24
C-90823-9181-19
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmm2] _cell_length_a [2.4716] _cell_length_b [11.6843] _cell_length_c [3.8913] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [35] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [112.3781] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.0975 0.1609 1.0 C C1 4 0.0000 0.2212 0.2334 1.0 C C2 4 0.0000 0.4344 0.9637 1.0 C C3 2 0.0000 0.0000 0.4334 1.0 C C4 2 0.0000 0.5000 0.6396 1.0 ]
Carbon-24
C-176683-1873-40
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9500] _cell_length_b [2.4796] _cell_length_c [4.2205] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6218] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0476] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0179 0.5000 0.1826 1.0 C C1 4 0.0602 0.0000 0.6862 1.0 C C2 4 0.2405 0.5000 0.3888 1.0 ]
Carbon-24
C-136214-3679-5
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.3824] _cell_length_b [3.5183] _cell_length_c [4.2274] _cell_angle_alpha [76.3274] _cell_angle_beta [77.7136] _cell_angle_gamma [63.7043] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.4860] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0780 0.5796 0.3447 1.0 C C1 2 0.1354 0.0188 0.8461 1.0 C C2 2 0.4805 0.3646 0.1529 1.0 ]
Carbon-24
C-28260-8517-19
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.0505] _cell_length_b [5.8259] _cell_length_c [2.4246] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [85.4656] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2033 0.2196 0.7500 1.0 C C1 4 0.0000 0.0761 0.7500 1.0 ]
Carbon-24
C-136251-4147-16
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_522] _cell_length_a [3.5151] _cell_length_b [3.5151] _cell_length_c [3.3169] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [179] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [35.4927] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.2315 0.4631 0.2500 1.0 ]
Carbon-24
C-148262-6595-20
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.7588] _cell_length_b [3.9414] _cell_length_c [4.3705] _cell_angle_alpha [81.0633] _cell_angle_beta [82.9728] _cell_angle_gamma [68.7316] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [59.4523] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0896 0.7615 0.1438 1.0 C C1 2 0.1486 0.4720 0.3763 1.0 C C2 2 0.2376 0.9130 0.8553 1.0 C C3 2 0.4747 0.1482 0.3777 1.0 ]
Carbon-24
C-28220-4725-49
C
data_[C18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.4779] _cell_length_b [2.4779] _cell_length_c [18.4388] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [166] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [98.0470] _cell_formula_units_Z [18] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.0000 0.0000 0.0414 1.0 C C1 6 0.0000 0.0000 0.1806 1.0 C C2 6 0.0000 0.0000 0.2643 1.0 ]
Carbon-24
C-9632-1856-49
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [2.4293] _cell_length_b [4.2035] _cell_length_c [5.6180] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [57.3694] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.0130 0.7500 1.0 C C1 4 0.0000 0.3600 0.7500 1.0 ]
Carbon-24
C-145317-4010-46
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.0697] _cell_length_b [4.2235] _cell_length_c [4.8305] _cell_angle_alpha [90.0000] _cell_angle_beta [106.1044] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.3721] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1558 0.1828 0.5865 1.0 C C1 8 0.2197 0.6634 0.8715 1.0 ]
Carbon-24
C-73635-4417-19
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [5.4367] _cell_length_b [6.5291] _cell_length_c [2.4629] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [20] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [87.4238] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2370 0.1832 0.3735 1.0 C C1 4 0.0000 0.0680 0.2500 1.0 C C2 4 0.0818 0.5000 0.0000 1.0 ]
Carbon-24
C-170374-5689-12
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4484] _cell_length_b [4.7608] _cell_length_c [5.0144] _cell_angle_alpha [87.7204] _cell_angle_beta [87.9085] _cell_angle_gamma [82.1888] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [57.8339] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0184 0.9196 0.7163 1.0 C C1 1 0.1104 0.8339 0.4409 1.0 C C2 1 0.3246 0.5457 0.3313 1.0 C C3 1 0.4191 0.5756 0.0314 1.0 C C4 1 0.4262 0.3222 0.8770 1.0 C C5 1 0.4724 0.0804 0.0793 1.0 C C6 1 0.5068 0.8417 0.8935 1.0 C C7 1 0.8821 0.3610 0.4162 1.0 C C8 1 0.9384 0.2548 0.7078 1.0 C C9 1 0.9695 0.0842 0.2546 1.0 ]
Carbon-24
C-92130-9945-9
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3119] _cell_length_b [2.4669] _cell_length_c [5.2551] _cell_angle_alpha [90.0000] _cell_angle_beta [91.3078] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.8038] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1126 0.5000 0.5371 1.0 C C1 4 0.2040 0.0000 0.6619 1.0 C C2 4 0.2373 0.0000 0.9378 1.0 ]
Carbon-24
C-72712-3931-15
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [2.4350] _cell_length_b [4.1870] _cell_length_c [5.4445] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [69] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [55.5085] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.1665 0.5000 1.0 ]
Carbon-24
C-130524-1316-30
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [2.6210] _cell_length_b [3.6623] _cell_length_c [8.2077] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [74] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [78.7837] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0626 0.9190 1.0 C C1 4 0.0000 0.2500 0.1968 1.0 ]
Carbon-24
C-130503-1906-2
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3358] _cell_length_b [2.4592] _cell_length_c [5.3273] _cell_angle_alpha [90.0000] _cell_angle_beta [97.2750] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.3374] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1151 0.5000 0.5334 1.0 C C1 4 0.2137 0.0000 0.6607 1.0 C C2 4 0.2449 0.0000 0.9366 1.0 ]
Carbon-24
C-184074-4085-49
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.3210] _cell_length_b [2.4284] _cell_length_c [5.5151] _cell_angle_alpha [90.0000] _cell_angle_beta [105.2524] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [68.7529] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0597 0.7500 0.2408 1.0 C C1 2 0.1941 0.2500 0.2751 1.0 C C2 2 0.2114 0.2500 0.7685 1.0 C C3 2 0.3271 0.7500 0.7329 1.0 C C4 2 0.4751 0.2500 0.4135 1.0 ]
Carbon-24
C-47636-5638-16
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.1848] _cell_length_b [8.6274] _cell_length_c [2.4763] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [65] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [89.4031] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1848 0.3333 0.0000 1.0 C C1 8 0.1853 0.0889 0.5000 1.0 ]
Carbon-24
C-53820-5674-48
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [2.4301] _cell_length_b [4.2024] _cell_length_c [5.6890] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [69] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [58.0967] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.1673 0.5000 1.0 ]
Carbon-24
C-106844-7188-49
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.4223] _cell_length_b [3.7603] _cell_length_c [4.6599] _cell_angle_alpha [81.5294] _cell_angle_beta [88.1993] _cell_angle_gamma [78.5442] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [58.1315] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0006 0.6822 0.5007 1.0 C C1 2 0.2260 0.1881 0.2659 1.0 C C2 2 0.2274 0.8140 0.2685 1.0 C C3 2 0.3771 0.4998 0.1191 1.0 ]
Carbon-24
C-73663-9884-9
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.3504] _cell_length_b [3.7763] _cell_length_c [6.4034] _cell_angle_alpha [102.4923] _cell_angle_beta [95.2896] _cell_angle_gamma [107.0138] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [74.5820] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0486 0.8330 0.0180 1.0 C C1 2 0.0537 0.5468 0.4041 1.0 C C2 2 0.2154 0.6733 0.8084 1.0 C C3 2 0.3422 0.3790 0.9053 1.0 C C4 2 0.3705 0.8770 0.4058 1.0 C C5 2 0.4600 0.9381 0.1938 1.0 ]
Carbon-24
C-41290-3170-29
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4353] _cell_length_b [3.0535] _cell_length_c [6.3991] _cell_angle_alpha [88.5737] _cell_angle_beta [79.3256] _cell_angle_gamma [69.4544] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.7471] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.1151 0.4939 0.2773 1.0 ]
Carbon-24
C-102891-3492-12
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4523] _cell_length_b [5.2013] _cell_length_c [6.4907] _cell_angle_alpha [88.5065] _cell_angle_beta [83.2131] _cell_angle_gamma [85.6010] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.9546] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.1878 0.2696 0.5500 1.0 C C1 1 0.1950 0.8068 0.4005 1.0 C C2 1 0.2045 0.0936 0.3498 1.0 C C3 1 0.2778 0.0998 0.7476 1.0 C C4 1 0.2985 0.3039 0.9265 1.0 C C5 1 0.3882 0.5514 0.8022 1.0 C C6 1 0.6419 0.4401 0.5587 1.0 C C7 1 0.6945 0.6789 0.4297 1.0 C C8 1 0.7293 0.1569 0.2341 1.0 C C9 1 0.7676 0.2663 0.0477 1.0 C C10 1 0.8021 0.9485 0.7691 1.0 C C11 1 0.8543 0.6996 0.8201 1.0 ]
Carbon-24
C-47668-7767-46
C
data_[C32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [5.7446] _cell_length_b [2.4333] _cell_length_c [16.6639] _cell_angle_alpha [90.0000] _cell_angle_beta [93.2417] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [232.5594] _cell_formula_units_Z [32] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0434 0.0000 0.0368 1.0 C C1 2 0.0485 0.5000 0.9950 1.0 C C2 2 0.0509 0.0000 0.1208 1.0 C C3 2 0.0648 0.5000 0.1627 1.0 C C4 2 0.0705 0.5000 0.9118 1.0 C C5 2 0.0881 0.0000 0.8706 1.0 C C6 2 0.1014 0.5000 0.2466 1.0 C C7 2 0.1255 0.0000 0.2882 1.0 C C8 2 0.1260 0.0000 0.7883 1.0 C C9 2 0.1481 0.5000 0.7474 1.0 C C10 2 0.1685 0.0000 0.3718 1.0 C C11 2 0.1833 0.5000 0.6648 1.0 C C12 2 0.1871 0.5000 0.4137 1.0 C C13 2 0.1979 0.0000 0.6234 1.0 C C14 2 0.2081 0.5000 0.4976 1.0 C C15 2 0.2106 0.0000 0.5397 1.0 ]
Carbon-24
C-28254-7962-34
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9462] _cell_length_b [2.4809] _cell_length_c [4.2198] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9359] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9262] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0159 0.0000 0.1826 1.0 C C1 4 0.0604 0.5000 0.6870 1.0 C C2 4 0.2388 0.0000 0.3894 1.0 ]
Carbon-24
C-142833-2247-41
C
data_[C22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4606] _cell_length_b [6.8312] _cell_length_c [7.7068] _cell_angle_alpha [83.7999] _cell_angle_beta [83.6278] _cell_angle_gamma [87.8013] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C22]' _cell_volume [127.9437] _cell_formula_units_Z [22] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0612 0.9383 0.9237 1.0 C C1 1 0.1148 0.1653 0.9164 1.0 C C2 1 0.1176 0.9295 0.7387 1.0 C C3 1 0.1294 0.2887 0.0630 1.0 C C4 1 0.1442 0.2458 0.7401 1.0 C C5 1 0.1459 0.5878 0.7992 1.0 C C6 1 0.1478 0.1008 0.6170 1.0 C C7 1 0.1693 0.7545 0.6634 1.0 C C8 1 0.2015 0.4431 0.6603 1.0 C C9 1 0.2378 0.1608 0.2404 1.0 C C10 1 0.2774 0.9214 0.2964 1.0 C C11 1 0.3774 0.5374 0.2426 1.0 C C12 1 0.3847 0.7566 0.1827 1.0 C C13 1 0.5346 0.8097 0.9960 1.0 C C14 1 0.5675 0.4325 0.0650 1.0 C C15 1 0.6088 0.5983 0.9130 1.0 C C16 1 0.6856 0.0945 0.5036 1.0 C C17 1 0.7097 0.7304 0.5522 1.0 C C18 1 0.7269 0.2287 0.3391 1.0 C C19 1 0.7398 0.5066 0.5407 1.0 C C20 1 0.7402 0.9017 0.4136 1.0 C C21 1 0.8131 0.4528 0.3508 1.0 ]
Carbon-24
C-92158-6662-49
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4298] _cell_length_b [2.4301] _cell_length_c [8.4558] _cell_angle_alpha [83.0008] _cell_angle_beta [82.4844] _cell_angle_gamma [59.9944] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [42.7746] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0200 0.2063 0.9732 1.0 C C1 1 0.0461 0.4114 0.6390 1.0 C C2 1 0.2131 0.4846 0.3073 1.0 C C3 1 0.3530 0.5392 0.9738 1.0 C C4 1 0.5462 0.8182 0.3073 1.0 C C5 1 0.7126 0.0785 0.6389 1.0 ]
Carbon-24
C-72738-5062-49
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.2019] _cell_length_b [2.4301] _cell_length_c [3.0319] _cell_angle_alpha [90.0000] _cell_angle_beta [111.7954] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.7456] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1667 0.0000 0.9992 1.0 ]
Carbon-24
C-141033-8048-16
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9485] _cell_length_b [2.4815] _cell_length_c [4.2155] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6822] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9829] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0165 0.0000 0.6826 1.0 C C1 4 0.0617 0.5000 0.1863 1.0 C C2 4 0.2417 0.0000 0.8888 1.0 ]
Carbon-24
C-176633-3584-33
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.1823] _cell_length_b [2.4797] _cell_length_c [2.5642] _cell_angle_alpha [90.0000] _cell_angle_beta [91.7199] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [71.0700] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0583 0.5000 0.9816 1.0 C C1 4 0.1312 0.0000 0.9813 1.0 C C2 4 0.2115 0.0000 0.4945 1.0 ]
Carbon-24
C-170892-2455-40
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.7522] _cell_length_b [2.4483] _cell_length_c [8.2504] _cell_angle_alpha [90.0000] _cell_angle_beta [93.8644] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [176.3884] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0078 0.0000 0.8389 1.0 C C1 4 0.0795 0.5000 0.8678 1.0 C C2 4 0.1600 0.0000 0.2053 1.0 C C3 4 0.1940 0.5000 0.2988 1.0 C C4 4 0.2373 0.5000 0.9477 1.0 C C5 4 0.2381 0.5000 0.4568 1.0 ]
Carbon-24
C-145305-3527-33
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.2314] _cell_length_b [2.4848] _cell_length_c [5.2214] _cell_angle_alpha [90.0000] _cell_angle_beta [99.2261] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.6094] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0273 0.0000 0.1432 1.0 C C1 4 0.1011 0.5000 0.5286 1.0 C C2 4 0.1383 0.5000 0.2492 1.0 C C3 4 0.1477 0.0000 0.6937 1.0 ]
Carbon-24
C-76022-4977-36
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [4.0581] _cell_length_b [2.4876] _cell_length_c [4.6958] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9931] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [45.5688] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1002 0.0000 0.8871 1.0 C C1 2 0.1322 0.0000 0.4203 1.0 C C2 2 0.3258 0.5000 0.8824 1.0 C C3 2 0.3332 0.5000 0.5349 1.0 ]
Carbon-24
C-134158-3120-48
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [3.1576] _cell_length_b [3.7477] _cell_length_c [4.9314] _cell_angle_alpha [90.0000] _cell_angle_beta [93.0979] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [58.2711] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.2278 0.1869 0.2322 1.0 C C1 2 0.0000 0.3181 0.0000 1.0 C C2 2 0.3677 0.5000 0.3848 1.0 ]
Carbon-24
C-126153-9712-5
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.4491] _cell_length_b [4.1526] _cell_length_c [5.5421] _cell_angle_alpha [106.6616] _cell_angle_beta [92.5689] _cell_angle_gamma [106.9106] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [72.0414] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1464 0.0946 0.4476 1.0 C C1 2 0.1592 0.6661 0.0061 1.0 C C2 2 0.2849 0.9899 0.2050 1.0 C C3 2 0.3615 0.4384 0.5769 1.0 C C4 2 0.3927 0.6998 0.8056 1.0 ]
Carbon-24
C-41302-4393-22
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.1631] _cell_length_b [2.4291] _cell_length_c [7.1873] _cell_angle_alpha [90.0000] _cell_angle_beta [95.1298] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [72.3908] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0677 0.2500 0.7465 1.0 C C1 2 0.0679 0.7500 0.4532 1.0 C C2 2 0.1688 0.7500 0.8280 1.0 C C3 2 0.4228 0.7500 0.4901 1.0 C C4 2 0.4243 0.7500 0.9716 1.0 ]
Carbon-24
C-73615-2489-10
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [3.3515] _cell_length_b [8.5270] _cell_length_c [3.4053] _cell_angle_alpha [90.0000] _cell_angle_beta [92.0774] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [5] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [97.2530] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1487 0.4121 0.1460 1.0 C C1 4 0.1674 0.0548 0.6664 1.0 C C2 4 0.1681 0.7524 0.8472 1.0 C C3 2 0.0000 0.1497 0.0000 1.0 C C4 2 0.0000 0.6618 0.5000 1.0 ]
Carbon-24
C-96665-6528-13
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.1250] _cell_length_b [2.4834] _cell_length_c [6.6353] _cell_angle_alpha [90.0000] _cell_angle_beta [121.1452] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [156.8960] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0064 0.5000 0.1137 1.0 C C1 4 0.0390 0.0000 0.4405 1.0 C C2 4 0.0534 0.0000 0.8393 1.0 C C3 4 0.1315 0.5000 0.4978 1.0 C C4 4 0.1573 0.5000 0.2919 1.0 C C5 4 0.2160 0.0000 0.0150 1.0 C C6 4 0.2290 0.0000 0.2705 1.0 ]
Carbon-24
C-145378-5350-14
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.3202] _cell_length_b [3.7861] _cell_length_c [3.9195] _cell_angle_alpha [91.9789] _cell_angle_beta [105.7925] _cell_angle_gamma [95.9238] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [47.0563] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0401 0.9882 0.6496 1.0 C C1 1 0.0932 0.4530 0.2474 1.0 C C2 1 0.2896 0.1434 0.3919 1.0 C C3 1 0.3708 0.9971 0.0322 1.0 C C4 1 0.4675 0.6343 0.1383 1.0 C C5 1 0.6673 0.3310 0.9826 1.0 C C6 1 0.7195 0.2769 0.6312 1.0 C C7 1 0.8525 0.6240 0.4716 1.0 ]
Carbon-24
C-28220-4725-34
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.4728] _cell_length_b [5.9726] _cell_length_c [5.1840] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [65] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [76.5652] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.0000 0.1283 1.0 C C1 4 0.0000 0.3194 0.5000 1.0 C C2 4 0.0000 0.5000 0.2812 1.0 ]
Carbon-24
C-13677-4233-8
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4431] _cell_length_b [5.6344] _cell_length_c [8.3541] _cell_angle_alpha [79.1379] _cell_angle_beta [89.9472] _cell_angle_gamma [82.3808] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [111.9061] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1566 0.7840 0.9035 1.0 C C1 2 0.1604 0.7987 0.7330 1.0 C C2 2 0.1866 0.7189 0.2438 1.0 C C3 2 0.2035 0.6422 0.4181 1.0 C C4 2 0.3044 0.3344 0.4859 1.0 C C5 2 0.3182 0.2686 0.8393 1.0 C C6 2 0.3264 0.2328 0.0116 1.0 C C7 2 0.3444 0.2126 0.3500 1.0 ]
Carbon-24
C-41266-1576-15
C
data_[C14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4560] _cell_length_b [6.1074] _cell_length_c [6.6017] _cell_angle_alpha [76.1007] _cell_angle_beta [83.5086] _cell_angle_gamma [82.3311] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [94.9256] _cell_formula_units_Z [14] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0366 0.5419 0.2716 1.0 C C1 1 0.0671 0.5251 0.0578 1.0 C C2 1 0.1344 0.0752 0.9571 1.0 C C3 1 0.1517 0.2832 0.7710 1.0 C C4 1 0.2674 0.0540 0.7283 1.0 C C5 1 0.5006 0.0204 0.2874 1.0 C C6 1 0.5013 0.6229 0.5760 1.0 C C7 1 0.5153 0.5521 0.3722 1.0 C C8 1 0.5891 0.5088 0.9596 1.0 C C9 1 0.5941 0.0459 0.0779 1.0 C C10 1 0.6061 0.4226 0.7637 1.0 C C11 1 0.8319 0.9791 0.6424 1.0 C C12 1 0.9534 0.7613 0.5776 1.0 C C13 1 0.9632 0.9834 0.4074 1.0 ]
Carbon-24
C-90823-9181-33
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.5240] _cell_length_b [4.3495] _cell_length_c [6.7729] _cell_angle_alpha [80.4020] _cell_angle_beta [87.1750] _cell_angle_gamma [82.1904] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.6071] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0063 0.6032 0.1533 1.0 C C1 1 0.1720 0.2544 0.1631 1.0 C C2 1 0.1811 0.5571 0.8117 1.0 C C3 1 0.2425 0.2293 0.9313 1.0 C C4 1 0.6841 0.6591 0.6786 1.0 C C5 1 0.6930 0.2219 0.4836 1.0 C C6 1 0.7014 0.1075 0.2826 1.0 C C7 1 0.7109 0.0067 0.6583 1.0 C C8 1 0.7171 0.5396 0.4887 1.0 C C9 1 0.7827 0.0639 0.8708 1.0 C C10 1 0.7891 0.7521 0.3094 1.0 C C11 1 0.9875 0.7471 0.9623 1.0 ]
Carbon-24
C-28266-8419-23
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4732] _cell_length_b [4.6460] _cell_length_c [4.9152] _cell_angle_alpha [85.4245] _cell_angle_beta [81.9432] _cell_angle_gamma [86.1370] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [55.6518] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0205 0.9371 0.2910 1.0 C C1 2 0.0526 0.2200 0.4227 1.0 C C2 2 0.3035 0.4470 0.9201 1.0 C C3 2 0.4431 0.1138 0.8757 1.0 C C4 2 0.4432 0.5994 0.6199 1.0 ]
Carbon-24
C-40102-7970-9
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3039] _cell_length_b [2.4658] _cell_length_c [5.2581] _cell_angle_alpha [90.0000] _cell_angle_beta [91.1480] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.7148] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1111 0.5000 0.0373 1.0 C C1 4 0.2035 0.0000 0.1626 1.0 C C2 4 0.2383 0.0000 0.4374 1.0 ]
Carbon-24
C-189696-7506-48
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [2.4817] _cell_length_b [3.8468] _cell_length_c [3.7415] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [51] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [35.7190] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.2500 0.2948 0.8816 1.0 C C1 2 0.2500 0.0000 0.6147 1.0 ]
Carbon-24
C-9628-9669-15
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [2.4390] _cell_length_b [7.4181] _cell_length_c [5.1922] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [44] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [93.9387] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.1530 0.5901 1.0 C C1 4 0.0000 0.3427 0.6608 1.0 C C2 4 0.0000 0.3983 0.9294 1.0 C C3 2 0.0000 0.0000 0.7975 1.0 C C4 2 0.0000 0.5000 0.4748 1.0 ]
Carbon-24
C-157717-1262-31
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9464] _cell_length_b [2.4815] _cell_length_c [4.2193] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9499] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9312] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0166 0.0000 0.1824 1.0 C C1 4 0.0615 0.5000 0.6871 1.0 C C2 4 0.2395 0.0000 0.3890 1.0 ]
Carbon-24
C-193932-9509-5
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.7273] _cell_length_b [2.4525] _cell_length_c [4.0486] _cell_angle_alpha [90.0000] _cell_angle_beta [90.9594] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.6432] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0244 0.5000 0.1549 1.0 C C1 4 0.0537 0.0000 0.3435 1.0 C C2 4 0.2151 0.0000 0.4697 1.0 ]
Carbon-24
C-136247-3248-47
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.9190] _cell_length_b [3.6371] _cell_length_c [4.5940] _cell_angle_alpha [104.9683] _cell_angle_beta [103.6053] _cell_angle_gamma [102.8071] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.6751] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1486 0.6355 0.6550 1.0 C C1 2 0.1536 0.0176 0.6549 1.0 C C2 2 0.3461 0.4217 0.8450 1.0 ]
Carbon-24
C-40140-2962-43
C
data_[C18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.4771] _cell_length_b [2.4771] _cell_length_c [18.4397] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [166] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [97.9872] _cell_formula_units_Z [18] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.0000 0.0000 0.2351 1.0 C C1 6 0.0000 0.0000 0.3198 1.0 C C2 6 0.0000 0.0000 0.4592 1.0 ]
Carbon-24
C-113066-6557-25
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4327] _cell_length_b [6.3761] _cell_length_c [7.8857] _cell_angle_alpha [69.7000] _cell_angle_beta [86.3149] _cell_angle_gamma [81.5460] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [113.4613] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0704 0.0388 0.7064 1.0 C C1 1 0.2136 0.8428 0.6424 1.0 C C2 1 0.2675 0.9583 0.4420 1.0 C C3 1 0.2767 0.6222 0.1473 1.0 C C4 1 0.2955 0.5791 0.3378 1.0 C C5 1 0.3091 0.2108 0.0758 1.0 C C6 1 0.3211 0.4039 0.9064 1.0 C C7 1 0.3782 0.3709 0.7210 1.0 C C8 1 0.5192 0.1393 0.7183 1.0 C C9 1 0.7555 0.7001 0.6997 1.0 C C10 1 0.7751 0.0136 0.3512 1.0 C C11 1 0.7817 0.6245 0.0581 1.0 C C12 1 0.7826 0.5519 0.8980 1.0 C C13 1 0.7973 0.5537 0.4307 1.0 C C14 1 0.8090 0.1372 0.1631 1.0 C C15 1 0.8314 0.5020 0.6280 1.0 ]
Carbon-24
C-152583-4955-32
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.5658] _cell_length_b [3.6504] _cell_length_c [4.3621] _cell_angle_alpha [90.0000] _cell_angle_beta [106.2413] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [85.0897] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1718 0.3078 0.3465 1.0 C C1 4 0.0781 0.0000 0.1567 1.0 ]
Carbon-24
C-130509-1794-21
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [2.4450] _cell_length_b [5.6895] _cell_length_c [12.1536] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [74] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [169.0683] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0053 0.5632 1.0 C C1 8 0.0000 0.1200 0.1056 1.0 C C2 4 0.0000 0.2500 0.2152 1.0 C C3 4 0.0000 0.2500 0.6060 1.0 C C4 4 0.0000 0.2500 0.7235 1.0 ]
Carbon-24
C-176633-3584-19
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.4066] _cell_length_b [8.3655] _cell_length_c [2.4389] _cell_angle_alpha [90.0000] _cell_angle_beta [99.8626] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [5] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [128.7807] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0542 0.6028 0.2800 1.0 C C1 4 0.1220 0.0586 0.0111 1.0 C C2 4 0.2111 0.8898 0.9868 1.0 C C3 4 0.2153 0.1371 0.5517 1.0 C C4 4 0.2484 0.3132 0.5083 1.0 ]
Carbon-24
C-40093-9787-30
C
data_[C14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4514] _cell_length_b [5.6420] _cell_length_c [5.8665] _cell_angle_alpha [92.7998] _cell_angle_beta [93.4878] _cell_angle_gamma [94.1175] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [80.6644] _cell_formula_units_Z [14] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0637 0.7527 0.3790 1.0 C C1 1 0.0694 0.5165 0.0347 1.0 C C2 1 0.0785 0.9790 0.5370 1.0 C C3 1 0.1099 0.7560 0.1381 1.0 C C4 1 0.1135 0.8312 0.7484 1.0 C C5 1 0.1884 0.9508 0.9845 1.0 C C6 1 0.5085 0.3397 0.3551 1.0 C C7 1 0.5515 0.6092 0.4573 1.0 C C8 1 0.5656 0.4850 0.8766 1.0 C C9 1 0.5819 0.6760 0.7132 1.0 C C10 1 0.5854 0.1431 0.5453 1.0 C C11 1 0.6339 0.2473 0.7851 1.0 C C12 1 0.7378 0.1117 0.9972 1.0 C C13 1 0.9640 0.3146 0.1962 1.0 ]
Carbon-24
C-134183-9440-37
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.4272] _cell_length_b [2.4272] _cell_length_c [8.3313] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [166] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [42.5053] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.0000 0.0000 0.3337 1.0 ]
Carbon-24
C-40124-9886-5
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [2.4253] _cell_length_b [4.2029] _cell_length_c [2.9328] _cell_angle_alpha [90.0000] _cell_angle_beta [101.7708] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.2666] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.3333 0.5000 1.0 ]
Carbon-24
C-136363-9310-18
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [7.9921] _cell_length_b [2.4478] _cell_length_c [8.4639] _cell_angle_alpha [90.0000] _cell_angle_beta [110.0356] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [6] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [155.5561] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0177 0.0000 0.3431 1.0 C C1 1 0.0314 0.5000 0.2650 1.0 C C2 1 0.0560 0.5000 0.1042 1.0 C C3 1 0.0727 0.5000 0.6144 1.0 C C4 1 0.0846 0.0000 0.0337 1.0 C C5 1 0.1678 0.5000 0.8031 1.0 C C6 1 0.1886 0.0000 0.9097 1.0 C C7 1 0.2755 0.5000 0.6852 1.0 C C8 1 0.3509 0.0000 0.6488 1.0 C C9 1 0.3754 0.0000 0.2197 1.0 C C10 1 0.3837 0.0000 0.0426 1.0 C C11 1 0.4128 0.5000 0.3055 1.0 C C12 1 0.4575 0.0000 0.5581 1.0 C C13 1 0.4950 0.5000 0.0435 1.0 C C14 1 0.5088 0.5000 0.4903 1.0 C C15 1 0.6168 0.5000 0.9483 1.0 C C16 1 0.6464 0.5000 0.2063 1.0 C C17 1 0.6793 0.0000 0.9117 1.0 C C18 1 0.7126 0.0000 0.2820 1.0 C C19 1 0.7248 0.5000 0.5348 1.0 C C20 1 0.7689 0.0000 0.7931 1.0 C C21 1 0.7819 0.5000 0.7180 1.0 C C22 1 0.7882 0.0000 0.4692 1.0 C C23 1 0.9933 0.0000 0.5175 1.0 ]
Carbon-24
C-34611-1398-23
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.2293] _cell_length_b [2.4844] _cell_length_c [5.2230] _cell_angle_alpha [90.0000] _cell_angle_beta [99.1705] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.6071] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0268 0.5000 0.6431 1.0 C C1 4 0.1005 0.0000 0.0284 1.0 C C2 4 0.1383 0.0000 0.7490 1.0 C C3 4 0.1479 0.5000 0.1935 1.0 ]
Carbon-24
C-142831-9227-71
C
data_[C18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.6494] _cell_length_b [5.1674] _cell_length_c [5.3406] _cell_angle_alpha [66.1311] _cell_angle_beta [65.2296] _cell_angle_gamma [81.7418] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [106.4866] _cell_formula_units_Z [18] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0768 0.3314 0.2937 1.0 C C1 1 0.1445 0.8266 0.3446 1.0 C C2 1 0.2650 0.3508 0.7607 1.0 C C3 1 0.3105 0.0517 0.7602 1.0 C C4 1 0.3603 0.6185 0.4702 1.0 C C5 1 0.4024 0.9251 0.0305 1.0 C C6 1 0.4300 0.3973 0.1323 1.0 C C7 1 0.5292 0.6397 0.1473 1.0 C C8 1 0.5359 0.4074 0.8215 1.0 C C9 1 0.6188 0.6804 0.5410 1.0 C C10 1 0.6237 0.9892 0.5132 1.0 C C11 1 0.6798 0.1859 0.1864 1.0 C C12 1 0.6865 0.1135 0.9395 1.0 C C13 1 0.8802 0.6706 0.0353 1.0 C C14 1 0.9311 0.6310 0.3205 1.0 C C15 1 0.9576 0.0257 0.5038 1.0 C C16 1 0.9826 0.9595 0.7952 1.0 C C17 1 0.9826 0.3761 0.0375 1.0 ]
Carbon-24
C-113060-2504-13
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.6079] _cell_length_b [4.6127] _cell_length_c [4.6224] _cell_angle_alpha [76.7320] _cell_angle_beta [74.4337] _cell_angle_gamma [84.6039] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.0629] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.1688 0.4635 0.3363 1.0 C C1 1 0.1845 0.3006 0.6640 1.0 C C2 1 0.2154 0.8100 0.3360 1.0 C C3 1 0.2403 0.5434 0.8097 1.0 C C4 1 0.3873 0.3695 0.0698 1.0 C C5 1 0.4014 0.7854 0.5664 1.0 C C6 1 0.4055 0.0128 0.0493 1.0 C C7 1 0.4166 0.0600 0.7041 1.0 C C8 1 0.7118 0.7370 0.3827 1.0 C C9 1 0.7278 0.4220 0.0242 1.0 C C10 1 0.7437 0.1623 0.5831 1.0 C C11 1 0.7456 0.9083 0.0516 1.0 C C12 1 0.8272 0.4266 0.3306 1.0 C C13 1 0.8702 0.1951 0.8509 1.0 C C14 1 0.8925 0.6928 0.8541 1.0 C C15 1 0.9022 0.8642 0.5238 1.0 ]
Carbon-24
C-152607-7999-40
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.9765] _cell_length_b [4.2423] _cell_length_c [3.6276] _cell_angle_alpha [90.0000] _cell_angle_beta [109.1256] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.3591] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1063 0.1805 0.3814 1.0 C C1 4 0.0000 0.3416 0.0000 1.0 ]
Carbon-24
C-27843-4868-37
C
data_[C18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.4680] _cell_length_b [4.8247] _cell_length_c [5.6459] _cell_angle_alpha [113.3636] _cell_angle_beta [95.5402] _cell_angle_gamma [91.3051] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [110.9570] _cell_formula_units_Z [18] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0422 0.5962 0.9257 1.0 C C1 2 0.1329 0.0475 0.5922 1.0 C C2 2 0.1747 0.5147 0.5122 1.0 C C3 2 0.2327 0.3720 0.7055 1.0 C C4 2 0.2524 0.3689 0.2195 1.0 C C5 2 0.2830 0.8099 0.1156 1.0 C C6 2 0.2993 0.8375 0.6400 1.0 C C7 2 0.4046 0.0950 0.2065 1.0 C C8 2 0.4668 0.5766 0.1478 1.0 ]
Carbon-24
C-157689-1881-34
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9445] _cell_length_b [2.4809] _cell_length_c [4.2220] _cell_angle_alpha [90.0000] _cell_angle_beta [106.0093] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9198] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0164 0.0000 0.1822 1.0 C C1 4 0.0620 0.5000 0.6872 1.0 C C2 4 0.2398 0.0000 0.3892 1.0 ]
Carbon-24
C-193930-7354-40
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [3.5165] _cell_length_b [3.5165] _cell_length_c [3.5165] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [227] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.4850] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0000 0.0000 1.0 ]
Carbon-24
C-152601-7805-6
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [5.5777] _cell_length_b [2.4456] _cell_length_c [13.7206] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [38] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [187.1606] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1197 0.0000 0.0465 1.0 C C1 4 0.2479 0.0000 0.8605 1.0 C C2 4 0.2558 0.0000 0.5203 1.0 C C3 4 0.2579 0.0000 0.4104 1.0 C C4 4 0.2581 0.0000 0.7570 1.0 C C5 4 0.3038 0.0000 0.2098 1.0 C C6 2 0.5000 0.0000 0.1360 1.0 C C7 2 0.5000 0.0000 0.5732 1.0 ]
Carbon-24
C-9622-7780-49
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4662] _cell_length_b [3.3062] _cell_length_c [6.4794] _cell_angle_alpha [100.0010] _cell_angle_beta [97.6008] _cell_angle_gamma [103.6808] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [49.7169] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0153 0.6585 0.6066 1.0 C C1 2 0.1213 0.6385 0.2335 1.0 C C2 2 0.4101 0.0688 0.3927 1.0 C C3 2 0.4430 0.4269 0.8953 1.0 ]
Carbon-24
C-141057-8821-22
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.0537] _cell_length_b [2.4612] _cell_length_c [7.8924] _cell_angle_alpha [90.0000] _cell_angle_beta [113.6902] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [161.0456] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0724 0.0000 0.2180 1.0 C C1 4 0.0943 0.5000 0.5170 1.0 C C2 4 0.0973 0.0000 0.9004 1.0 C C3 4 0.1314 0.5000 0.3429 1.0 C C4 4 0.1721 0.0000 0.1040 1.0 C C5 4 0.1814 0.0000 0.6214 1.0 C C6 4 0.2184 0.0000 0.8254 1.0 ]
Carbon-24
C-145329-3191-32
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [3.5171] _cell_length_b [3.5171] _cell_length_c [3.5171] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [227] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.5047] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0000 0.5000 1.0 ]
Carbon-24
C-107730-3141-9
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4855] _cell_length_b [4.1855] _cell_length_c [9.1973] _cell_angle_alpha [84.6278] _cell_angle_beta [89.4426] _cell_angle_gamma [80.5397] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [93.9626] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0937 0.7823 0.6460 1.0 C C1 1 0.2109 0.6021 0.5117 1.0 C C2 1 0.2244 0.7528 0.3449 1.0 C C3 1 0.2838 0.1058 0.3141 1.0 C C4 1 0.2959 0.2483 0.1461 1.0 C C5 1 0.3077 0.3002 0.8841 1.0 C C6 1 0.3991 0.0561 0.0164 1.0 C C7 1 0.4147 0.1325 0.7468 1.0 C C8 1 0.5973 0.7566 0.7429 1.0 C C9 1 0.6321 0.7257 0.0119 1.0 C C10 1 0.7157 0.5347 0.8814 1.0 C C11 1 0.7362 0.5942 0.2880 1.0 C C12 1 0.7375 0.4840 0.1394 1.0 C C13 1 0.7736 0.2643 0.3710 1.0 C C14 1 0.7808 0.3852 0.5188 1.0 C C15 1 0.9106 0.1545 0.6517 1.0 ]
Carbon-24
C-184040-7075-19
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9450] _cell_length_b [2.4820] _cell_length_c [4.2211] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9217] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9693] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0166 0.5000 0.6823 1.0 C C1 4 0.0615 0.0000 0.1872 1.0 C C2 4 0.2396 0.5000 0.8891 1.0 ]
Carbon-24
C-40110-5594-11
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9487] _cell_length_b [2.4813] _cell_length_c [4.2205] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7875] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0229] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0172 0.5000 0.6821 1.0 C C1 4 0.0613 0.0000 0.1870 1.0 C C2 4 0.2401 0.5000 0.8890 1.0 ]
Carbon-24
C-170335-8559-33
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.0085] _cell_length_b [5.8722] _cell_length_c [2.4280] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [85.6667] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2033 0.2188 0.2500 1.0 C C1 4 0.0000 0.0747 0.2500 1.0 ]
Carbon-24
C-106853-7201-46
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.1695] _cell_length_b [3.7647] _cell_length_c [5.6448] _cell_angle_alpha [77.6101] _cell_angle_beta [74.4384] _cell_angle_gamma [66.9189] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [59.2347] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1257 0.4974 0.3810 1.0 C C1 2 0.2761 0.8126 0.2306 1.0 C C2 2 0.2780 0.1840 0.2316 1.0 C C3 2 0.4969 0.6838 0.0000 1.0 ]
Carbon-24
C-136237-3205-34
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9472] _cell_length_b [2.4813] _cell_length_c [4.2187] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8315] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9621] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0187 0.0000 0.6826 1.0 C C1 4 0.0627 0.5000 0.1867 1.0 C C2 4 0.2385 0.0000 0.8889 1.0 ]
Carbon-24
C-172914-2327-34
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8292] _cell_length_b [2.4462] _cell_length_c [7.1674] _cell_angle_alpha [90.0000] _cell_angle_beta [122.0564] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [131.1955] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0074 0.0000 0.0969 1.0 C C1 4 0.0259 0.5000 0.2205 1.0 C C2 4 0.1102 0.5000 0.7179 1.0 C C3 4 0.1613 0.0000 0.6736 1.0 C C4 4 0.2304 0.5000 0.4291 1.0 ]
Carbon-24
C-47616-513-3
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4557] _cell_length_b [4.3719] _cell_length_c [8.6386] _cell_angle_alpha [83.3095] _cell_angle_beta [83.4571] _cell_angle_gamma [85.2319] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [91.2832] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0383 0.1836 0.2397 1.0 C C1 1 0.0798 0.7544 0.0214 1.0 C C2 1 0.0904 0.0860 0.0706 1.0 C C3 1 0.1153 0.9391 0.3777 1.0 C C4 1 0.1417 0.7937 0.8331 1.0 C C5 1 0.2056 0.1338 0.7669 1.0 C C6 1 0.2300 0.4969 0.5342 1.0 C C7 1 0.2809 0.6028 0.3642 1.0 C C8 1 0.3253 0.1817 0.5946 1.0 C C9 1 0.4861 0.4045 0.2402 1.0 C C10 1 0.5661 0.5644 0.0733 1.0 C C11 1 0.5774 0.9608 0.4921 1.0 C C12 1 0.6103 0.2571 0.0012 1.0 C C13 1 0.6637 0.6397 0.7698 1.0 C C14 1 0.6757 0.2935 0.8267 1.0 C C15 1 0.6845 0.6572 0.5933 1.0 ]
Carbon-24
C-176683-1873-30
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7272] _cell_length_b [7.6530] _cell_length_c [2.4753] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.6070] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2036 0.1940 0.7500 1.0 C C1 4 0.0000 0.4448 0.2500 1.0 ]
Carbon-24
C-142791-7919-21
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.6405] _cell_length_b [4.9655] _cell_length_c [4.1140] _cell_angle_alpha [90.0000] _cell_angle_beta [106.9098] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.6986] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0956 0.2596 0.8824 1.0 C C1 4 0.0276 0.0000 0.3276 1.0 C C2 4 0.1155 0.5000 0.6690 1.0 ]
Carbon-24
C-172919-5077-32
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [11.5944] _cell_length_b [2.4621] _cell_length_c [7.4245] _cell_angle_alpha [90.0000] _cell_angle_beta [125.0244] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [173.5639] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0066 0.5000 0.2558 1.0 C C1 2 0.0249 0.0000 0.7195 1.0 C C2 2 0.0373 0.0000 0.3856 1.0 C C3 2 0.1150 0.5000 0.8127 1.0 C C4 2 0.1872 0.0000 0.5931 1.0 C C5 2 0.1942 0.5000 0.0560 1.0 C C6 2 0.2120 0.5000 0.7335 1.0 C C7 2 0.2355 0.0000 0.1652 1.0 C C8 2 0.3167 0.0000 0.5843 1.0 C C9 2 0.3464 0.0000 0.4041 1.0 C C10 2 0.3775 0.5000 0.9056 1.0 C C11 2 0.3973 0.5000 0.7207 1.0 C C12 2 0.4286 0.0000 0.0377 1.0 C C13 2 0.4406 0.5000 0.4685 1.0 ]
Carbon-24
C-76038-158-52
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4637] _cell_length_b [4.8015] _cell_length_c [6.5103] _cell_angle_alpha [69.3548] _cell_angle_beta [81.0649] _cell_angle_gamma [79.4137] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.4974] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0209 0.2434 0.1844 1.0 C C1 1 0.0476 0.5549 0.0047 1.0 C C2 1 0.2612 0.6037 0.5442 1.0 C C3 1 0.3565 0.2619 0.6972 1.0 C C4 1 0.3843 0.5971 0.3102 1.0 C C5 1 0.4713 0.2621 0.3235 1.0 C C6 1 0.4984 0.0731 0.5550 1.0 C C7 1 0.6179 0.5604 0.8687 1.0 C C8 1 0.6613 0.7413 0.6209 1.0 C C9 1 0.8008 0.2455 0.8415 1.0 C C10 1 0.9215 0.7287 0.1659 1.0 C C11 1 0.9285 0.0470 0.0640 1.0 ]
Carbon-24
C-47620-4862-16
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.2009] _cell_length_b [2.4308] _cell_length_c [3.0723] _cell_angle_alpha [90.0000] _cell_angle_beta [113.0527] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.8677] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1662 0.5000 0.9992 1.0 ]
Carbon-24
C-96663-8819-7
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4371] _cell_length_b [4.2281] _cell_length_c [6.5154] _cell_angle_alpha [94.7945] _cell_angle_beta [100.7156] _cell_angle_gamma [90.0506] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [65.7253] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0937 0.5314 0.7016 1.0 C C1 2 0.1033 0.8851 0.7174 1.0 C C2 2 0.2210 0.9800 0.9479 1.0 C C3 2 0.4129 0.6277 0.3143 1.0 C C4 2 0.4432 0.9743 0.3788 1.0 ]
Carbon-24
C-193924-4401-43
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9488] _cell_length_b [2.4816] _cell_length_c [4.2198] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7688] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0288] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0175 0.5000 0.1825 1.0 C C1 4 0.0609 0.0000 0.6865 1.0 C C2 4 0.2404 0.5000 0.3892 1.0 ]
Carbon-24
C-145298-5550-55
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [2.4672] _cell_length_b [3.7832] _cell_length_c [5.1123] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [25] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [47.7178] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0000 0.2984 0.8136 1.0 C C1 2 0.5000 0.1946 0.6542 1.0 C C2 2 0.5000 0.3136 0.3787 1.0 C C3 1 0.0000 0.0000 0.0205 1.0 C C4 1 0.5000 0.0000 0.1928 1.0 ]
Carbon-24
C-157711-6174-29
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [6.1187] _cell_length_b [12.0098] _cell_length_c [2.4540] _cell_angle_alpha [90.0000] _cell_angle_beta [100.2545] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [177.4496] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0261 0.2892 0.5174 1.0 C C1 4 0.0517 0.2334 0.0143 1.0 C C2 4 0.0763 0.1101 0.9489 1.0 C C3 4 0.3144 0.0649 0.0048 1.0 C C4 4 0.4489 0.0945 0.5536 1.0 C C5 4 0.4754 0.4385 0.3946 1.0 C C6 2 0.1238 0.5000 0.6696 1.0 C C7 2 0.2609 0.5000 0.2459 1.0 ]
Carbon-24
C-80205-231-32
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2854] _cell_length_b [2.4284] _cell_length_c [4.1527] _cell_angle_alpha [90.0000] _cell_angle_beta [105.4373] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [119.4225] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0509 0.5000 0.4478 1.0 C C1 4 0.1009 0.0000 0.4062 1.0 C C2 4 0.2221 0.0000 0.4043 1.0 C C3 4 0.2433 0.0000 0.0709 1.0 ]
Carbon-24
C-130522-136-16
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [2.4816] _cell_length_b [3.8443] _cell_length_c [3.7400] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [51] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [35.6795] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.2500 0.2053 0.1191 1.0 C C1 2 0.2500 0.5000 0.3854 1.0 ]
Carbon-24
C-96709-3568-11
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.3703] _cell_length_b [2.4284] _cell_length_c [5.4269] _cell_angle_alpha [90.0000] _cell_angle_beta [96.6008] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [175.0359] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0364 0.0000 0.1813 1.0 C C1 4 0.0550 0.0000 0.4525 1.0 C C2 4 0.0698 0.0000 0.9278 1.0 C C3 4 0.1172 0.5000 0.5570 1.0 C C4 4 0.1237 0.5000 0.8477 1.0 C C5 4 0.2244 0.5000 0.4968 1.0 C C6 4 0.2292 0.5000 0.9697 1.0 ]
Carbon-24
C-40138-885-3
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.2152] _cell_length_b [2.4211] _cell_length_c [3.0763] _cell_angle_alpha [90.0000] _cell_angle_beta [114.1727] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.6420] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1667 0.0000 0.9991 1.0 ]