Datasets:
c-bone
/
Carbon-24_clean

Dataset card Data Studio Files Community
1
Database
stringclasses
1 value
Material ID
stringlengths
12
16
Reduced Formula
stringclasses
1 value
CIF
stringlengths
761
1.7k
Carbon-24
C-126165-3752-11
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 [8.7375] _cell_length_b [2.4508] _cell_length_c [3.9386] _cell_angle_alpha [90.0000] _cell_angle_beta [94.5041] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [84.0826] _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 0.0342 0.0000 0.3553 1.0 C C1 4 0.0626 0.5000 0.1680 1.0 C C2 4 0.2165 0.5000 0.0345 1.0 ]
Carbon-24
C-136237-3205-39
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 [2.4827] _cell_length_b [3.8449] _cell_length_c [3.7404] _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 [35.7061] _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 0.2947 0.6185 1.0 C C1 2 0.2500 0.0000 0.8856 1.0 ]
Carbon-24
C-148238-9656-24
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 [Fmmm] _cell_length_a [2.4664] _cell_length_b [5.8996] _cell_length_c [14.6080] _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 '[C32]' _cell_volume [212.5563] _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 8 0.0000 0.0000 0.0789 1.0 C C1 8 0.0000 0.0000 0.2751 1.0 C C2 8 0.0000 0.0000 0.3674 1.0 C C3 8 0.0000 0.1806 0.0000 1.0 ]
Carbon-24
C-134162-3158-38
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 [3.1944] _cell_length_b [4.2869] _cell_length_c [6.7782] _cell_angle_alpha [74.4032] _cell_angle_beta [85.9038] _cell_angle_gamma [84.1884] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [88.8517] _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 0.0780 0.3750 0.0825 1.0 C C1 2 0.0801 0.0426 0.0824 1.0 C C2 2 0.2311 0.4624 0.2494 1.0 C C3 2 0.2386 0.7905 0.2473 1.0 C C4 2 0.3985 0.2123 0.4016 1.0 C C5 2 0.4024 0.8857 0.4008 1.0 ]
Carbon-24
C-57156-2568-43
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 [3.2856] _cell_length_b [3.5576] _cell_length_c [4.8578] _cell_angle_alpha [100.0862] _cell_angle_beta [108.7950] _cell_angle_gamma [103.5058] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [50.2968] _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 0.0567 0.8496 0.2564 1.0 C C1 2 0.1891 0.5941 0.4545 1.0 C C2 2 0.3325 0.3313 0.9963 1.0 C C3 2 0.3482 0.2475 0.2879 1.0 ]
Carbon-24
C-157685-398-14
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 [Fd-3m] _cell_length_a [3.5170] _cell_length_b [3.5170] _cell_length_c [3.5170] _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 [43.5045] _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-13915-4927-3
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 [3.5704] _cell_length_b [3.6348] _cell_length_c [3.6798] _cell_angle_alpha [111.2675] _cell_angle_beta [96.6952] _cell_angle_gamma [97.6586] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.3969] _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 0.1524 0.5781 0.6552 1.0 C C1 2 0.3466 0.9832 0.8446 1.0 C C2 2 0.3469 0.3630 0.8456 1.0 ]
Carbon-24
C-80160-4880-46
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 [C2/c] _cell_length_a [4.2045] _cell_length_b [2.4307] _cell_length_c [5.7889] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8216] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [15] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [56.9209] _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 0.1667 0.2838 0.2508 1.0 ]
Carbon-24
C-193944-7687-37
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 [43.5076] _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-177226-1356-16
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 [2.4545] _cell_length_b [4.2597] _cell_length_c [4.3872] _cell_angle_alpha [73.4751] _cell_angle_beta [89.6547] _cell_angle_gamma [89.0907] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.9706] _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 0.0834 0.3500 0.9484 1.0 C C1 2 0.2334 0.4077 0.5832 1.0 C C2 2 0.2613 0.0423 0.5821 1.0 C C3 2 0.4121 0.8603 0.9323 1.0 ]
Carbon-24
C-184035-5891-17
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 [3.0489] _cell_length_b [3.6232] _cell_length_c [4.5902] _cell_angle_alpha [109.2835] _cell_angle_beta [104.8239] _cell_angle_gamma [95.4023] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [45.3729] _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 0.1519 0.5173 0.6543 1.0 C C1 2 0.1524 0.1361 0.6547 1.0 C C2 2 0.3441 0.9230 0.8462 1.0 ]
Carbon-24
C-134185-1570-18
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 [2.5144] _cell_length_b [4.5547] _cell_length_c [6.3748] _cell_angle_alpha [107.0930] _cell_angle_beta [98.2907] _cell_angle_gamma [92.8623] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [68.7221] _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 0.0421 0.4337 0.2792 1.0 C C1 1 0.0511 0.0979 0.2674 1.0 C C2 1 0.1107 0.0600 0.4951 1.0 C C3 1 0.1228 0.8667 0.0896 1.0 C C4 1 0.2125 0.3602 0.6843 1.0 C C5 1 0.2499 0.9802 0.8948 1.0 C C6 1 0.3565 0.3374 0.9262 1.0 C C7 1 0.5969 0.5606 0.4125 1.0 C C8 1 0.6148 0.9000 0.5282 1.0 C C9 1 0.6984 0.5193 0.6461 1.0 C C10 1 0.7033 0.8603 0.7596 1.0 C C11 1 0.9629 0.5066 0.0561 1.0 ]
Carbon-24
C-126187-3348-6
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 [6.3025] _cell_length_b [2.4653] _cell_length_c [5.2548] _cell_angle_alpha [90.0000] _cell_angle_beta [90.7467] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.6387] _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 0.1121 0.0000 0.0375 1.0 C C1 4 0.2021 0.5000 0.1627 1.0 C C2 4 0.2395 0.5000 0.4373 1.0 ]
Carbon-24
C-157713-6979-10
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 [Imma] _cell_length_a [2.4601] _cell_length_b [2.5514] _cell_length_c [12.0249] _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 [75.4768] _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 0.2500 0.5381 1.0 C C1 4 0.0000 0.2500 0.7778 1.0 C C2 4 0.0000 0.2500 0.8925 1.0 ]
Carbon-24
C-193907-1650-4
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 [2.5129] _cell_length_b [4.1092] _cell_length_c [6.8506] _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 [70.7406] _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 0.3154 0.1940 1.0 C C1 4 0.0000 0.1654 0.0000 1.0 ]
Carbon-24
C-80176-5093-51
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 [4.1984] _cell_length_b [2.4308] _cell_length_c [3.0556] _cell_angle_alpha [90.0000] _cell_angle_beta [113.9142] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.5077] _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 0.1663 0.5000 0.4992 1.0 ]
Carbon-24
C-157713-6979-5
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 [2.5005] _cell_length_b [4.2477] _cell_length_c [7.9004] _cell_angle_alpha [76.8228] _cell_angle_beta [86.1785] _cell_angle_gamma [87.8965] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [81.5015] _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 0.0265 0.0900 0.7962 1.0 C C1 1 0.1736 0.3804 0.4788 1.0 C C2 1 0.2142 0.1257 0.6064 1.0 C C3 1 0.3916 0.3807 0.3003 1.0 C C4 1 0.4370 0.8019 0.5752 1.0 C C5 1 0.4457 0.7388 0.2128 1.0 C C6 1 0.4689 0.6762 0.0353 1.0 C C7 1 0.4821 0.6135 0.7649 1.0 C C8 1 0.5062 0.8923 0.8596 1.0 C C9 1 0.9211 0.2455 0.2276 1.0 C C10 1 0.9429 0.8804 0.2765 1.0 C C11 1 0.9649 0.4597 0.0333 1.0 C C12 1 0.9657 0.7227 0.4786 1.0 C C13 1 0.9851 0.4186 0.8381 1.0 ]
Carbon-24
C-134183-9440-28
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 [12.1355] _cell_length_b [2.4767] _cell_length_c [7.5146] _cell_angle_alpha [90.0000] _cell_angle_beta [97.0156] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [224.1707] _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 0.0078 0.0000 0.5562 1.0 C C1 2 0.0354 0.0000 0.3602 1.0 C C2 2 0.0415 0.0000 0.9180 1.0 C C3 2 0.0555 0.5000 0.6432 1.0 C C4 2 0.0788 0.5000 0.8440 1.0 C C5 2 0.1529 0.0000 0.3392 1.0 C C6 2 0.1775 0.5000 0.7345 1.0 C C7 2 0.2041 0.5000 0.3278 1.0 C C8 2 0.2384 0.0000 0.7079 1.0 C C9 2 0.3230 0.5000 0.3345 1.0 C C10 2 0.3318 0.0000 0.6260 1.0 C C11 2 0.3644 0.0000 0.2589 1.0 C C12 2 0.3753 0.5000 0.5500 1.0 C C13 2 0.4254 0.0000 0.0954 1.0 C C14 2 0.4547 0.5000 0.0121 1.0 C C15 2 0.4850 0.0000 0.2842 1.0 ]
Carbon-24
C-90796-891-20
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 [Imm2] _cell_length_a [2.4802] _cell_length_b [10.2909] _cell_length_c [5.4725] _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 '[C24]' _cell_volume [139.6811] _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 0.0000 0.0706 0.5849 1.0 C C1 4 0.0000 0.1226 0.8404 1.0 C C2 4 0.0000 0.1639 0.3738 1.0 C C3 4 0.0000 0.3075 0.4422 1.0 C C4 4 0.0000 0.3625 0.7212 1.0 C C5 2 0.0000 0.0000 0.9809 1.0 C C6 2 0.0000 0.5000 0.6331 1.0 ]
Carbon-24
C-106873-5485-61
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 [I4/mmm] _cell_length_a [4.3038] _cell_length_b [4.3038] _cell_length_c [2.4742] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [139] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [45.8284] _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 0.1804 0.8196 0.0000 1.0 ]
Carbon-24
C-176663-4376-18
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 [5.2511] _cell_length_b [2.4500] _cell_length_c [5.4290] _cell_angle_alpha [90.0000] _cell_angle_beta [115.8367] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [62.8628] _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 0.0134 0.2500 0.2532 1.0 C C1 2 0.1279 0.2500 0.7983 1.0 C C2 2 0.3227 0.2500 0.3620 1.0 C C3 2 0.4424 0.2500 0.9107 1.0 C C4 2 0.4670 0.7500 0.3216 1.0 ]
Carbon-24
C-96696-5300-20
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 [3.7218] _cell_length_b [7.6414] _cell_length_c [2.4759] _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 [70.4145] _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 0.2040 0.3057 0.2500 1.0 C C1 4 0.0000 0.0553 0.7500 1.0 ]
Carbon-24
C-142751-9264-30
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 [2.4302] _cell_length_b [2.4302] _cell_length_c [8.5580] _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 [43.7696] _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 0.3339 1.0 ]
Carbon-24
C-126183-8981-51
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 [2.4780] _cell_length_b [2.4780] _cell_length_c [18.4406] _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 [98.0639] _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 0.2355 1.0 C C1 6 0.0000 0.0000 0.3192 1.0 C C2 6 0.0000 0.0000 0.4590 1.0 ]
Carbon-24
C-184046-597-47
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 [P6_122] _cell_length_a [3.5170] _cell_length_b [3.5170] _cell_length_c [3.3201] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [178] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [35.5641] _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 0.2321 0.4641 0.2500 1.0 ]
Carbon-24
C-72754-2980-33
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 [Immm] _cell_length_a [2.5127] _cell_length_b [4.1131] _cell_length_c [6.8444] _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 [70.7381] _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 0.1843 0.3061 1.0 C C1 4 0.0000 0.3347 0.5000 1.0 ]
Carbon-24
C-72712-3931-29
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 [3.3131] _cell_length_b [3.3947] _cell_length_c [5.3378] _cell_angle_alpha [98.8292] _cell_angle_beta [98.3787] _cell_angle_gamma [92.5515] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [58.5529] _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 0.0041 0.5790 0.4169 1.0 C C1 1 0.0879 0.9870 0.0987 1.0 C C2 1 0.2186 0.6504 0.6918 1.0 C C3 1 0.2975 0.6923 0.2490 1.0 C C4 1 0.4248 0.3209 0.0919 1.0 C C5 1 0.5315 0.3953 0.8296 1.0 C C6 1 0.5762 0.9818 0.6914 1.0 C C7 1 0.6718 0.8915 0.4182 1.0 C C8 1 0.7991 0.1970 0.2664 1.0 C C9 1 0.8830 0.7551 0.8464 1.0 ]
Carbon-24
C-142798-9552-27
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 [Amm2] _cell_length_a [2.4862] _cell_length_b [3.7799] _cell_length_c [15.5052] _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 '[C24]' _cell_volume [145.7116] _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 0.0000 0.2013 0.6448 1.0 C C1 4 0.0000 0.2039 0.8965 1.0 C C2 4 0.5000 0.1941 0.1921 1.0 C C3 4 0.5000 0.2040 0.4512 1.0 C C4 2 0.0000 0.0000 0.0738 1.0 C C5 2 0.0000 0.0000 0.3280 1.0 C C6 2 0.5000 0.0000 0.0196 1.0 C C7 2 0.5000 0.0000 0.2755 1.0 ]
Carbon-24
C-75995-2520-32
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 [P1] _cell_length_a [3.6704] _cell_length_b [4.3584] _cell_length_c [4.7864] _cell_angle_alpha [88.7250] _cell_angle_beta [69.8071] _cell_angle_gamma [88.3333] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [71.8257] _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 0.1016 0.7385 0.7241 1.0 C C1 1 0.1297 0.3710 0.7326 1.0 C C2 1 0.1474 0.2522 0.2157 1.0 C C3 1 0.1810 0.8992 0.2185 1.0 C C4 1 0.5220 0.4131 0.0591 1.0 C C5 1 0.5409 0.7235 0.5437 1.0 C C6 1 0.5466 0.7219 0.2003 1.0 C C7 1 0.5494 0.4145 0.6946 1.0 C C8 1 0.8972 0.2337 0.0230 1.0 C C9 1 0.8974 0.8917 0.5369 1.0 C C10 1 0.9212 0.2419 0.5454 1.0 C C11 1 0.9305 0.8762 0.0247 1.0 ]
Carbon-24
C-136241-2721-16
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 [3.5154] _cell_length_b [14.3822] _cell_length_c [2.4662] _cell_angle_alpha [90.0000] _cell_angle_beta [114.9604] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [113.0448] _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 0.1369 0.2973 0.3447 1.0 C C1 4 0.0000 0.0756 0.0000 1.0 C C2 4 0.0000 0.1353 0.5000 1.0 C C3 4 0.1423 0.5000 0.8235 1.0 ]
Carbon-24
C-172939-8068-45
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 [6.3240] _cell_length_b [2.4612] _cell_length_c [5.3061] _cell_angle_alpha [90.0000] _cell_angle_beta [95.5679] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.1980] _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 0.1138 0.5000 0.5344 1.0 C C1 4 0.2096 0.0000 0.6620 1.0 C C2 4 0.2395 0.0000 0.9374 1.0 ]
Carbon-24
C-107746-1080-55
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 [P-1] _cell_length_a [2.5267] _cell_length_b [4.2994] _cell_length_c [4.7131] _cell_angle_alpha [68.3576] _cell_angle_beta [78.0902] _cell_angle_gamma [84.9268] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [46.5619] _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 0.0155 0.6365 0.0649 1.0 C C1 2 0.0719 0.4439 0.3870 1.0 C C2 2 0.2691 0.0910 0.4127 1.0 C C3 2 0.4506 0.1475 0.0551 1.0 ]
Carbon-24
C-50204-1059-52
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 [P1] _cell_length_a [2.4796] _cell_length_b [6.4239] _cell_length_c [7.9544] _cell_angle_alpha [113.6950] _cell_angle_beta [94.3496] _cell_angle_gamma [95.6461] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [114.5318] _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 1 0.0039 0.7171 0.6849 1.0 C C1 1 0.1263 0.9644 0.6986 1.0 C C2 1 0.1996 0.3802 0.9011 1.0 C C3 1 0.2008 0.1411 0.8883 1.0 C C4 1 0.2143 0.8939 0.0874 1.0 C C5 1 0.2272 0.3884 0.7189 1.0 C C6 1 0.2639 0.9616 0.3085 1.0 C C7 1 0.2823 0.1267 0.0698 1.0 C C8 1 0.4401 0.2187 0.4188 1.0 C C9 1 0.4876 0.6569 0.7729 1.0 C C10 1 0.6417 0.2578 0.6173 1.0 C C11 1 0.6566 0.0110 0.5981 1.0 C C12 1 0.6639 0.7512 0.9928 1.0 C C13 1 0.7270 0.5175 0.0050 1.0 C C14 1 0.7320 0.8868 0.3863 1.0 C C15 1 0.7990 0.6529 0.3502 1.0 C C16 1 0.8156 0.4963 0.1768 1.0 C C17 1 0.8517 0.2666 0.1723 1.0 C C18 1 0.9453 0.5746 0.4811 1.0 C C19 1 0.9476 0.3221 0.3773 1.0 ]
Carbon-24
C-80202-9135-2
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 [P1] _cell_length_a [2.4505] _cell_length_b [4.3930] _cell_length_c [6.6288] _cell_angle_alpha [102.2223] _cell_angle_beta [93.2126] _cell_angle_gamma [98.2118] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [68.7522] _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 0.0244 0.2908 0.6973 1.0 C C1 1 0.1529 0.5501 0.3769 1.0 C C2 1 0.2034 0.5496 0.1536 1.0 C C3 1 0.2748 0.9165 0.1603 1.0 C C4 1 0.3174 0.8435 0.5198 1.0 C C5 1 0.4010 0.0768 0.3869 1.0 C C6 1 0.6051 0.4421 0.8169 1.0 C C7 1 0.6738 0.3777 0.0381 1.0 C C8 1 0.7346 0.7963 0.8405 1.0 C C9 1 0.7411 0.0095 0.0450 1.0 C C10 1 0.8636 0.9293 0.6632 1.0 C C11 1 0.9783 0.2764 0.4584 1.0 ]
Carbon-24
C-57148-8436-29
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 [4.1845] _cell_length_b [8.6290] _cell_length_c [2.4758] _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 [89.3946] _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 0.1843 0.3329 0.0000 1.0 C C1 8 0.1851 0.0890 0.5000 1.0 ]
Carbon-24
C-90798-810-19
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 [Imm2] _cell_length_a [2.4801] _cell_length_b [10.2941] _cell_length_c [5.4719] _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 '[C24]' _cell_volume [139.6985] _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 0.0000 0.0700 0.7801 1.0 C C1 4 0.0000 0.1226 0.5251 1.0 C C2 4 0.0000 0.1636 0.9907 1.0 C C3 4 0.0000 0.3071 0.9228 1.0 C C4 4 0.0000 0.3620 0.6435 1.0 C C5 2 0.0000 0.0000 0.3830 1.0 C C6 2 0.0000 0.5000 0.7308 1.0 ]
Carbon-24
C-172917-5417-13
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 [2.5486] _cell_length_b [4.6129] _cell_length_c [7.5087] _cell_angle_alpha [89.8285] _cell_angle_beta [89.2776] _cell_angle_gamma [78.6172] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [86.5333] _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 0.0171 0.2508 0.2088 1.0 C C1 1 0.1776 0.0963 0.9121 1.0 C C2 1 0.1858 0.0094 0.0839 1.0 C C3 1 0.3570 0.8990 0.7712 1.0 C C4 1 0.3694 0.7111 0.1566 1.0 C C5 1 0.4192 0.7307 0.3590 1.0 C C6 1 0.4490 0.5566 0.7947 1.0 C C7 1 0.4493 0.4773 0.4508 1.0 C C8 1 0.4634 0.0638 0.6187 1.0 C C9 1 0.4664 0.3812 0.6264 1.0 C C10 1 0.5002 0.9828 0.4409 1.0 C C11 1 0.5072 0.2344 0.3262 1.0 C C12 1 0.9302 0.5341 0.0993 1.0 C C13 1 0.9976 0.4406 0.9004 1.0 ]
Carbon-24
C-40100-7984-45
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 [5.9697] _cell_length_b [5.9498] _cell_length_c [2.4256] _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 [86.1539] _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 0.2044 0.2186 0.2500 1.0 C C1 4 0.0000 0.0744 0.2500 1.0 ]
Carbon-24
C-13935-8914-37
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 [6.3390] _cell_length_b [2.4598] _cell_length_c [5.3232] _cell_angle_alpha [90.0000] _cell_angle_beta [96.6892] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.4385] _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 0.1149 0.0000 0.0336 1.0 C C1 4 0.2129 0.5000 0.1607 1.0 C C2 4 0.2451 0.5000 0.4365 1.0 ]
Carbon-24
C-13895-3001-2
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 [4.2037] _cell_length_b [4.2309] _cell_length_c [4.6033] _cell_angle_alpha [97.8201] _cell_angle_beta [93.4624] _cell_angle_gamma [118.8140] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [70.3163] _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 0.0463 0.5834 0.8862 1.0 C C1 2 0.1467 0.4878 0.4156 1.0 C C2 2 0.1481 0.1459 0.4675 1.0 C C3 2 0.4082 0.8689 0.8811 1.0 C C4 2 0.4983 0.8447 0.5650 1.0 ]
Carbon-24
C-28226-7086-20
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 [2.4300] _cell_length_b [2.4296] _cell_length_c [8.4495] _cell_angle_alpha [83.6806] _cell_angle_beta [82.5597] _cell_angle_gamma [59.9980] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [42.7781] _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 0.0746 0.1537 0.3754 1.0 C C1 1 0.2119 0.3225 0.0393 1.0 C C2 1 0.4079 0.4870 0.3754 1.0 C C3 1 0.6212 0.7507 0.7063 1.0 C C4 1 0.8788 0.9896 0.0387 1.0 C C5 1 0.9545 0.0842 0.7064 1.0 ]
Carbon-24
C-184033-8328-11
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 [6.9460] _cell_length_b [2.4819] _cell_length_c [4.2209] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8463] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9975] _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 0.0000 0.1825 1.0 C C1 4 0.0615 0.5000 0.6868 1.0 C C2 4 0.2399 0.0000 0.3892 1.0 ]
Carbon-24
C-193934-9379-16
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 [3.9542] _cell_length_b [2.4867] _cell_length_c [5.9391] _cell_angle_alpha [90.0000] _cell_angle_beta [104.5678] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [56.5225] _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 0.1011 0.2500 0.0346 1.0 C C1 2 0.1170 0.2500 0.4969 1.0 C C2 2 0.3062 0.2500 0.2960 1.0 C C3 2 0.4097 0.2500 0.9436 1.0 C C4 2 0.4547 0.2500 0.6976 1.0 ]
Carbon-24
C-126187-3348-34
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 [Amm2] _cell_length_a [3.9606] _cell_length_b [2.4939] _cell_length_c [11.8771] _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 '[C20]' _cell_volume [117.3119] _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 0.1876 0.0000 0.7994 1.0 C C1 4 0.2031 0.0000 0.1158 1.0 C C2 4 0.2109 0.0000 0.3712 1.0 C C3 4 0.3121 0.0000 0.6819 1.0 C C4 2 0.5000 0.0000 0.0259 1.0 C C5 2 0.5000 0.0000 0.4543 1.0 ]
Carbon-24
C-53812-2634-22
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 [2.4289] _cell_length_b [4.2036] _cell_length_c [3.0104] _cell_angle_alpha [90.0000] _cell_angle_beta [107.4516] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.3218] _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 0.1670 0.0000 1.0 ]
Carbon-24
C-152575-7588-10
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 [3.5163] _cell_length_b [3.5163] _cell_length_c [3.5163] _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 [43.4764] _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-145302-9438-28
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 [3.2193] _cell_length_b [3.7502] _cell_length_c [4.8792] _cell_angle_alpha [87.3931] _cell_angle_beta [87.1732] _cell_angle_gamma [86.0017] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [58.6403] _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 0.0031 0.8178 0.5005 1.0 C C1 2 0.2241 0.6874 0.2669 1.0 C C2 2 0.2259 0.3143 0.2678 1.0 C C3 2 0.3690 0.0021 0.1157 1.0 ]
Carbon-24
C-134219-5441-35
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 [3.4337] _cell_length_b [3.4911] _cell_length_c [4.6304] _cell_angle_alpha [67.9654] _cell_angle_beta [89.7121] _cell_angle_gamma [85.2896] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [51.2593] _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 0.1263 0.3268 0.0671 1.0 C C1 2 0.1856 0.0730 0.4109 1.0 C C2 2 0.3850 0.1680 0.9051 1.0 C C3 2 0.4713 0.2704 0.5775 1.0 ]
Carbon-24
C-176683-1873-48
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 [P-1] _cell_length_a [2.6971] _cell_length_b [3.6282] _cell_length_c [4.8255] _cell_angle_alpha [67.9791] _cell_angle_beta [85.4095] _cell_angle_gamma [86.5287] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.6107] _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 0.0001 0.6356 0.8459 1.0 C C1 2 0.0006 0.9818 0.1546 1.0 C C2 2 0.0006 0.5779 0.3453 1.0 ]
Carbon-24
C-53799-3713-24
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 [2.4314] _cell_length_b [2.4314] _cell_length_c [8.5119] _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 [43.5768] _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 0.3332 1.0 ]
Carbon-24
C-113041-727-35
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 [P6/mmm] _cell_length_a [2.4249] _cell_length_b [2.4249] _cell_length_c [2.6590] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [191] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [13.5413] _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 0.3333 0.6667 0.0000 1.0 ]
Carbon-24
C-80144-1745-58
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 [6.2383] _cell_length_b [2.4560] _cell_length_c [7.2729] _cell_angle_alpha [90.0000] _cell_angle_beta [103.8964] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [108.1699] _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 0.0724 0.5000 0.5927 1.0 C C1 4 0.1202 0.0000 0.0313 1.0 C C2 4 0.1421 0.0000 0.6804 1.0 C C3 4 0.2371 0.5000 0.1218 1.0 ]
Carbon-24
C-189744-1391-15
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 [3.9541] _cell_length_b [2.4859] _cell_length_c [5.9389] _cell_angle_alpha [90.0000] _cell_angle_beta [104.5648] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [56.4999] _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 0.0463 0.2500 0.3022 1.0 C C1 2 0.0912 0.2500 0.0561 1.0 C C2 2 0.1951 0.2500 0.7039 1.0 C C3 2 0.3824 0.2500 0.5031 1.0 C C4 2 0.3987 0.2500 0.9653 1.0 ]
Carbon-24
C-176677-5553-48
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 [4.9870] _cell_length_b [4.2422] _cell_length_c [3.6352] _cell_angle_alpha [90.0000] _cell_angle_beta [109.3265] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.5718] _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 0.1056 0.1809 0.3815 1.0 C C1 4 0.0000 0.3412 0.0000 1.0 ]
Carbon-24
C-170372-5246-1
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 [2.4624] _cell_length_b [4.6207] _cell_length_c [4.9407] _cell_angle_alpha [91.7405] _cell_angle_beta [92.5950] _cell_angle_gamma [99.6085] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [55.3270] _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 0.0450 0.8292 0.5276 1.0 C C1 2 0.0942 0.7038 0.2385 1.0 C C2 2 0.2551 0.9890 0.0861 1.0 C C3 2 0.4398 0.2297 0.3016 1.0 C C4 2 0.4672 0.4746 0.8403 1.0 ]
Carbon-24
C-193932-9509-28
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 [Pmm2] _cell_length_a [2.4520] _cell_length_b [4.8596] _cell_length_c [4.9139] _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 '[C10]' _cell_volume [58.5535] _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 0.0000 0.2391 0.5817 1.0 C C1 2 0.5000 0.1712 0.4097 1.0 C C2 2 0.5000 0.2463 0.1195 1.0 C C3 1 0.0000 0.0000 0.7725 1.0 C C4 1 0.0000 0.5000 0.7524 1.0 C C5 1 0.5000 0.0000 0.9498 1.0 C C6 1 0.5000 0.5000 0.9554 1.0 ]
Carbon-24
C-145302-9438-58
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 [4.2226] _cell_length_b [4.2360] _cell_length_c [7.3768] _cell_angle_alpha [83.2699] _cell_angle_beta [89.5484] _cell_angle_gamma [60.3586] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [113.6981] _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 0.0033 0.1417 0.5475 1.0 C C1 2 0.0880 0.6605 0.1293 1.0 C C2 2 0.2076 0.7632 0.2825 1.0 C C3 2 0.2510 0.3261 0.8678 1.0 C C4 2 0.3327 0.5028 0.4671 1.0 C C5 2 0.3349 0.4939 0.0017 1.0 C C6 2 0.3543 0.1527 0.5479 1.0 C C7 2 0.4879 0.1675 0.7348 1.0 ]
Carbon-24
C-13906-5787-25
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 [8.7632] _cell_length_b [2.4516] _cell_length_c [4.0190] _cell_angle_alpha [90.0000] _cell_angle_beta [90.1706] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.3453] _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 0.0282 0.5000 0.8523 1.0 C C1 4 0.0557 0.0000 0.6537 1.0 C C2 4 0.2155 0.0000 0.5304 1.0 ]
Carbon-24
C-142755-3271-50
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 [3.6274] _cell_length_b [12.5769] _cell_length_c [2.4665] _cell_angle_alpha [90.0000] _cell_angle_beta [117.6800] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.6456] _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 0.1388 0.2994 0.8513 1.0 C C1 4 0.0000 0.0564 0.5000 1.0 C C2 4 0.0000 0.1133 0.0000 1.0 ]
Carbon-24
C-40106-2927-2
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 [2.4276] _cell_length_b [2.4261] _cell_length_c [3.0317] _cell_angle_alpha [93.4963] _cell_angle_beta [105.0887] _cell_angle_gamma [119.7898] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [14.5707] _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 0.3333 0.6664 0.9994 1.0 ]
Carbon-24
C-176648-5645-14
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 [6.9470] _cell_length_b [2.4814] _cell_length_c [4.2220] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8538] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0100] _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 0.0186 0.0000 0.6822 1.0 C C1 4 0.0631 0.5000 0.1868 1.0 C C2 4 0.2385 0.0000 0.8894 1.0 ]
Carbon-24
C-9590-2380-18
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 [6.8872] _cell_length_b [2.4565] _cell_length_c [6.2758] _cell_angle_alpha [90.0000] _cell_angle_beta [104.2706] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [102.9002] _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 0.0018 0.5000 0.3727 1.0 C C1 4 0.1182 0.0000 0.7134 1.0 C C2 4 0.2221 0.0000 0.9489 1.0 C C3 4 0.2245 0.5000 0.4272 1.0 ]
Carbon-24
C-92154-4888-47
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 [3.6474] _cell_length_b [8.9479] _cell_length_c [2.6124] _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 [85.2613] _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 0.1924 0.1731 0.5000 1.0 C C1 4 0.0000 0.4225 0.5000 1.0 ]
Carbon-24
C-34633-9015-13
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 [C2/m] _cell_length_a [9.0221] _cell_length_b [2.4844] _cell_length_c [4.0863] _cell_angle_alpha [90.0000] _cell_angle_beta [96.9225] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.9258] _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 0.0571 0.5000 0.8801 1.0 C C1 4 0.0579 0.0000 0.6532 1.0 C C2 4 0.2136 0.5000 0.0592 1.0 C C3 4 0.2282 0.0000 0.5853 1.0 ]
Carbon-24
C-172955-2457-38
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 [6.3440] _cell_length_b [2.4545] _cell_length_c [5.3657] _cell_angle_alpha [90.0000] _cell_angle_beta [101.2715] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.9403] _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 0.1157 0.0000 0.5305 1.0 C C1 4 0.2223 0.5000 0.6609 1.0 C C2 4 0.2497 0.0000 0.0627 1.0 ]
Carbon-24
C-176679-1286-36
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 [6.9480] _cell_length_b [2.4796] _cell_length_c [4.2193] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8343] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9343] _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 0.0173 0.0000 0.1824 1.0 C C1 4 0.0614 0.5000 0.6868 1.0 C C2 4 0.2398 0.0000 0.3889 1.0 ]
Carbon-24
C-106865-3848-58
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 [2.4373] _cell_length_b [7.4149] _cell_length_c [5.1950] _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 [93.8858] _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 0.1535 0.5320 1.0 C C1 4 0.0000 0.3431 0.4611 1.0 C C2 4 0.0000 0.3988 0.1930 1.0 C C3 2 0.0000 0.0000 0.3252 1.0 C C4 2 0.0000 0.5000 0.6482 1.0 ]
Carbon-24
C-157724-4895-16
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 [13.4442] _cell_length_b [2.4345] _cell_length_c [5.4279] _cell_angle_alpha [90.0000] _cell_angle_beta [105.3470] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [171.3199] _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 0.0103 0.0000 0.9753 1.0 C C1 2 0.0431 0.0000 0.4471 1.0 C C2 2 0.0500 0.5000 0.6170 1.0 C C3 2 0.1225 0.0000 0.0993 1.0 C C4 2 0.1500 0.0000 0.3799 1.0 C C5 2 0.1644 0.5000 0.7589 1.0 C C6 2 0.1916 0.0000 0.9285 1.0 C C7 2 0.2051 0.5000 0.5179 1.0 C C8 2 0.3024 0.0000 0.0661 1.0 C C9 2 0.3192 0.5000 0.5865 1.0 C C10 2 0.3530 0.5000 0.1365 1.0 C C11 2 0.3698 0.0000 0.6565 1.0 C C12 2 0.4651 0.5000 0.1988 1.0 C C13 2 0.4810 0.0000 0.7972 1.0 ]
Carbon-24
C-47652-4449-56
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 [2.4298] _cell_length_b [4.2016] _cell_length_c [5.6346] _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 [57.5228] _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 0.1669 0.0000 1.0 ]
Carbon-24
C-134169-158-4
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 [8.8423] _cell_length_b [2.5532] _cell_length_c [4.5744] _cell_angle_alpha [90.0000] _cell_angle_beta [104.4914] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.9872] _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 0.0325 0.5000 0.3866 1.0 C C1 4 0.0423 0.5000 0.9045 1.0 C C2 4 0.2068 0.5000 0.4132 1.0 C C3 4 0.2168 0.5000 0.0510 1.0 ]
Carbon-24
C-40138-885-19
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 [Cmmm] _cell_length_a [2.5484] _cell_length_b [12.7455] _cell_length_c [2.4409] _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 [79.2820] _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 0.0550 0.0000 1.0 C C1 4 0.0000 0.1087 0.5000 1.0 C C2 4 0.0000 0.2237 0.5000 1.0 ]
Carbon-24
C-193918-9298-37
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 [2.4771] _cell_length_b [5.1966] _cell_length_c [6.3471] _cell_angle_alpha [96.8612] _cell_angle_beta [97.6372] _cell_angle_gamma [94.6402] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [80.0085] _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 0.0337 0.8650 0.3292 1.0 C C1 1 0.0376 0.1687 0.2786 1.0 C C2 1 0.1237 0.2813 0.5061 1.0 C C3 1 0.1888 0.5382 0.6601 1.0 C C4 1 0.2184 0.3896 0.8524 1.0 C C5 1 0.4169 0.5029 0.0790 1.0 C C6 1 0.4879 0.0235 0.9519 1.0 C C7 1 0.5012 0.2211 0.1594 1.0 C C8 1 0.5956 0.8695 0.4774 1.0 C C9 1 0.6254 0.1495 0.5808 1.0 C C10 1 0.6494 0.2209 0.8120 1.0 C C11 1 0.7185 0.7024 0.6700 1.0 C C12 1 0.9268 0.8536 0.9214 1.0 C C13 1 0.9552 0.6747 0.1140 1.0 ]
Carbon-24
C-13661-7792-42
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 [C2/m] _cell_length_a [4.2010] _cell_length_b [2.4332] _cell_length_c [5.5861] _cell_angle_alpha [90.0000] _cell_angle_beta [93.2292] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [57.0097] _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 0.0443 0.5000 0.2497 1.0 C C1 4 0.1225 0.0000 0.7498 1.0 ]
Carbon-24
C-176667-771-25
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 [3.4434] _cell_length_b [3.6298] _cell_length_c [3.9136] _cell_angle_alpha [98.9013] _cell_angle_beta [98.2161] _cell_angle_gamma [110.7416] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [44.1478] _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 0.1517 0.1355 0.6549 1.0 C C1 2 0.1531 0.5178 0.6550 1.0 C C2 2 0.3433 0.9219 0.8461 1.0 ]
Carbon-24
C-189746-9542-22
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 [2.9037] _cell_length_b [3.6176] _cell_length_c [4.7788] _cell_angle_alpha [105.6128] _cell_angle_beta [106.8798] _cell_angle_gamma [100.0570] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [44.4888] _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 0.1561 0.5791 0.1540 1.0 C C1 2 0.3465 0.9826 0.3452 1.0 C C2 2 0.3467 0.3637 0.3458 1.0 ]
Carbon-24
C-177244-4718-47
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 [2.5054] _cell_length_b [4.3119] _cell_length_c [6.6110] _cell_angle_alpha [107.8257] _cell_angle_beta [92.8098] _cell_angle_gamma [91.8337] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [67.8255] _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 0.0497 0.9667 0.1838 1.0 C C1 1 0.1186 0.1805 0.5956 1.0 C C2 1 0.1375 0.3364 0.2580 1.0 C C3 1 0.1947 0.4400 0.4989 1.0 C C4 1 0.2341 0.2499 0.8364 1.0 C C5 1 0.3558 0.8868 0.8418 1.0 C C6 1 0.4277 0.7234 0.6113 1.0 C C7 1 0.5759 0.8456 0.2724 1.0 C C8 1 0.5840 0.9714 0.5125 1.0 C C9 1 0.6423 0.4765 0.1827 1.0 C C10 1 0.7483 0.4355 0.9426 1.0 C C11 1 0.8790 0.7992 0.9471 1.0 ]
Carbon-24
C-130522-136-1
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 [7.2353] _cell_length_b [2.4935] _cell_length_c [6.6630] _cell_angle_alpha [90.0000] _cell_angle_beta [104.3282] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [116.4697] _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 0.0161 0.0000 0.2937 1.0 C C1 4 0.0613 0.0000 0.0930 1.0 C C2 4 0.1157 0.5000 0.7124 1.0 C C3 4 0.2333 0.0000 0.4332 1.0 C C4 4 0.2463 0.0000 0.0688 1.0 ]
Carbon-24
C-136239-2356-25
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 [P2/m] _cell_length_a [2.5327] _cell_length_b [2.4571] _cell_length_c [6.4212] _cell_angle_alpha [90.0000] _cell_angle_beta [98.5726] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [39.5134] _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 0.2606 0.0000 0.0519 1.0 C C1 2 0.3706 0.0000 0.2829 1.0 C C2 2 0.4355 0.5000 0.3892 1.0 ]
Carbon-24
C-28248-2845-30
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 [C2/m] _cell_length_a [4.9794] _cell_length_b [4.2444] _cell_length_c [3.6277] _cell_angle_alpha [90.0000] _cell_angle_beta [109.1670] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.4196] _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 0.3195 0.3814 1.0 C C1 4 0.0000 0.1583 0.0000 1.0 ]
Carbon-24
C-53842-5928-46
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 [2.4308] _cell_length_b [5.6335] _cell_length_c [6.6252] _cell_angle_alpha [104.1520] _cell_angle_beta [92.7711] _cell_angle_gamma [92.8265] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [87.6934] _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 0.0272 0.8449 0.9567 1.0 C C1 1 0.0799 0.8629 0.1764 1.0 C C2 1 0.1661 0.0508 0.8591 1.0 C C3 1 0.1922 0.9199 0.6182 1.0 C C4 1 0.2224 0.3681 0.2511 1.0 C C5 1 0.2326 0.3965 0.4791 1.0 C C6 1 0.2651 0.6573 0.6400 1.0 C C7 1 0.5964 0.8868 0.2837 1.0 C C8 1 0.6773 0.9928 0.5121 1.0 C C9 1 0.6887 0.2212 0.9180 1.0 C C10 1 0.7132 0.3351 0.1455 1.0 C C11 1 0.7257 0.2748 0.5520 1.0 C C12 1 0.7410 0.3831 0.7799 1.0 C C13 1 0.8068 0.6412 0.7828 1.0 ]
Carbon-24
C-13681-3389-56
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 [3.5168] _cell_length_b [3.5168] _cell_length_c [3.5168] _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 [43.4962] _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-126147-4024-8
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 [3.4108] _cell_length_b [3.6307] _cell_length_c [3.9305] _cell_angle_alpha [100.8696] _cell_angle_beta [98.1951] _cell_angle_gamma [108.2822] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [44.3138] _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 0.1543 0.0761 0.1538 1.0 C C1 2 0.3469 0.4830 0.3460 1.0 C C2 2 0.3470 0.8635 0.3449 1.0 ]
Carbon-24
C-172959-2703-49
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 [2.4775] _cell_length_b [2.4775] _cell_length_c [18.4399] _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 [98.0195] _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 0.2355 1.0 C C1 6 0.0000 0.0000 0.3194 1.0 C C2 6 0.0000 0.0000 0.4590 1.0 ]
Carbon-24
C-28252-6084-38
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 [3.1941] _cell_length_b [4.2590] _cell_length_c [5.8974] _cell_angle_alpha [69.9249] _cell_angle_beta [81.0364] _cell_angle_gamma [73.9977] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [72.2652] _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 0.1076 0.8940 0.8059 1.0 C C1 2 0.1390 0.8641 0.5760 1.0 C C2 2 0.2165 0.7831 0.2047 1.0 C C3 2 0.3418 0.6616 0.0047 1.0 C C4 2 0.3526 0.6450 0.4472 1.0 ]
Carbon-24
C-126179-5885-2
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 [4.1620] _cell_length_b [2.4287] _cell_length_c [7.1133] _cell_angle_alpha [90.0000] _cell_angle_beta [94.6640] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [71.6658] _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 0.0631 0.7500 0.7489 1.0 C C1 2 0.0666 0.2500 0.4533 1.0 C C2 2 0.1643 0.2500 0.8289 1.0 C C3 2 0.4207 0.2500 0.4868 1.0 C C4 2 0.4231 0.2500 0.9710 1.0 ]
Carbon-24
C-107742-8736-10
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 [13.9642] _cell_length_b [2.4916] _cell_length_c [4.0741] _cell_angle_alpha [90.0000] _cell_angle_beta [95.9224] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [140.9976] _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 0.0087 0.0000 0.6821 1.0 C C1 4 0.0260 0.5000 0.1654 1.0 C C2 4 0.1229 0.0000 0.8336 1.0 C C3 4 0.1262 0.5000 0.0542 1.0 C C4 4 0.1901 0.0000 0.5773 1.0 C C5 4 0.1945 0.5000 0.3613 1.0 ]
Carbon-24
C-106067-9179-21
C
data_[C36] 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 [11.7982] _cell_length_b [2.4798] _cell_length_c [8.6998] _cell_angle_alpha [90.0000] _cell_angle_beta [123.9831] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C36]' _cell_volume [211.0594] _cell_formula_units_Z [36] 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 0.0196 0.5000 0.8085 1.0 C C1 2 0.0704 0.0000 0.5039 1.0 C C2 2 0.0709 0.5000 0.4054 1.0 C C3 2 0.0851 0.0000 0.9149 1.0 C C4 2 0.0933 0.0000 0.1100 1.0 C C5 2 0.1748 0.5000 0.2247 1.0 C C6 2 0.1999 0.5000 0.4139 1.0 C C7 2 0.2302 0.0000 0.6626 1.0 C C8 2 0.2438 0.0000 0.9925 1.0 C C9 2 0.2669 0.5000 0.7655 1.0 C C10 2 0.2732 0.0000 0.5248 1.0 C C11 2 0.2958 0.5000 0.9473 1.0 C C12 2 0.3239 0.5000 0.2866 1.0 C C13 2 0.3365 0.0000 0.2008 1.0 C C14 2 0.4267 0.0000 0.5990 1.0 C C15 2 0.4436 0.5000 0.5094 1.0 C C16 2 0.4605 0.5000 0.1086 1.0 C C17 2 0.4631 0.0000 0.2097 1.0 ]
Carbon-24
C-41306-4542-29
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 [4.2394] _cell_length_b [4.3847] _cell_length_c [4.5600] _cell_angle_alpha [68.0942] _cell_angle_beta [66.9047] _cell_angle_gamma [78.9649] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [72.2399] _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 0.0506 0.5532 0.0939 1.0 C C1 2 0.0763 0.5762 0.5600 1.0 C C2 2 0.2910 0.7987 0.9901 1.0 C C3 2 0.3032 0.8082 0.3003 1.0 C C4 2 0.4953 0.9938 0.6664 1.0 ]
Carbon-24
C-40144-9743-13
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 [5.7715] _cell_length_b [6.1890] _cell_length_c [2.4270] _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 [86.6934] _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 0.2055 0.2841 0.2500 1.0 C C1 4 0.0000 0.4293 0.2500 1.0 ]
Carbon-24
C-107742-8736-7
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 [P-1] _cell_length_a [3.6863] _cell_length_b [4.6228] _cell_length_c [4.8000] _cell_angle_alpha [70.3901] _cell_angle_beta [69.6751] _cell_angle_gamma [69.5600] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.7039] _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 0.0505 0.8250 0.9965 1.0 C C1 2 0.1088 0.7097 0.6870 1.0 C C2 2 0.2792 0.3462 0.7986 1.0 C C3 2 0.3157 0.1756 0.3350 1.0 C C4 2 0.4619 0.8137 0.4499 1.0 C C5 2 0.4785 0.6704 0.9915 1.0 ]
Carbon-24
C-76050-9799-48
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 [Cm] _cell_length_a [8.7505] _cell_length_b [2.4600] _cell_length_c [6.6818] _cell_angle_alpha [90.0000] _cell_angle_beta [106.4684] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [137.9343] _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 2 0.0259 0.0000 0.7029 1.0 C C1 2 0.0453 0.0000 0.9406 1.0 C C2 2 0.1480 0.5000 0.0126 1.0 C C3 2 0.1873 0.5000 0.4167 1.0 C C4 2 0.2104 0.0000 0.7386 1.0 C C5 2 0.2442 0.5000 0.2290 1.0 C C6 2 0.2576 0.5000 0.8761 1.0 C C7 2 0.2628 0.0000 0.5442 1.0 C C8 2 0.4131 0.5000 0.0228 1.0 C C9 2 0.4193 0.5000 0.2483 1.0 C C10 2 0.4506 0.0000 0.5830 1.0 C C11 2 0.4996 0.0000 0.3742 1.0 ]
Carbon-24
C-53832-8784-36
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 [Pm] _cell_length_a [4.1702] _cell_length_b [2.4270] _cell_length_c [6.9953] _cell_angle_alpha [90.0000] _cell_angle_beta [93.6540] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [6] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [70.6557] _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 0.2006 0.5000 0.5379 1.0 C C1 1 0.2202 0.5000 0.0135 1.0 C C2 1 0.3585 0.0000 0.5607 1.0 C C3 1 0.3663 0.0000 0.0699 1.0 C C4 1 0.6211 0.0000 0.2137 1.0 C C5 1 0.7113 0.0000 0.5961 1.0 C C6 1 0.7235 0.5000 0.2954 1.0 C C7 1 0.8407 0.0000 0.8002 1.0 C C8 1 0.8474 0.5000 0.5004 1.0 C C9 1 0.9545 0.5000 0.8777 1.0 ]
Carbon-24
C-184058-8674-41
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 [Cm] _cell_length_a [9.2511] _cell_length_b [2.5136] _cell_length_c [5.8213] _cell_angle_alpha [90.0000] _cell_angle_beta [114.6641] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [123.0172] _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 2 0.0123 0.5000 0.7328 1.0 C C1 2 0.0454 0.5000 0.1285 1.0 C C2 2 0.1091 0.5000 0.3840 1.0 C C3 2 0.1260 0.5000 0.9730 1.0 C C4 2 0.2787 0.5000 0.5403 1.0 C C5 2 0.3021 0.5000 0.0747 1.0 C C6 2 0.3452 0.0000 0.7105 1.0 C C7 2 0.3663 0.0000 0.9888 1.0 C C8 2 0.3764 0.5000 0.3695 1.0 C C9 2 0.4843 0.0000 0.4706 1.0 ]
Carbon-24
C-57158-3314-13
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 [3.5155] _cell_length_b [3.5155] _cell_length_c [3.5155] _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 [43.4482] _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-96700-8739-40
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 [6.9476] _cell_length_b [2.4801] _cell_length_c [4.2182] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7637] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9482] _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 0.0176 0.5000 0.6824 1.0 C C1 4 0.0605 0.0000 0.1861 1.0 C C2 4 0.2404 0.5000 0.8891 1.0 ]
Carbon-24
C-113058-1288-36
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 [P-1] _cell_length_a [3.4597] _cell_length_b [4.1732] _cell_length_c [4.6659] _cell_angle_alpha [64.2208] _cell_angle_beta [78.1094] _cell_angle_gamma [74.8156] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [58.2144] _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 0.0661 0.9325 0.8852 1.0 C C1 2 0.0933 0.9058 0.4072 1.0 C C2 2 0.3775 0.6207 0.8792 1.0 C C3 2 0.3829 0.6163 0.5681 1.0 ]
Carbon-24
C-106073-1785-61
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 [3.5052] _cell_length_b [4.6365] _cell_length_c [10.8859] _cell_angle_alpha [82.3065] _cell_angle_beta [89.9773] _cell_angle_gamma [70.0968] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C22]' _cell_volume [164.6563] _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 0.0189 0.5583 0.2053 1.0 C C1 1 0.0263 0.2497 0.1959 1.0 C C2 1 0.0699 0.1558 0.8125 1.0 C C3 1 0.1272 0.6079 0.8780 1.0 C C4 1 0.1344 0.6644 0.0873 1.0 C C5 1 0.1388 0.1867 0.0719 1.0 C C6 1 0.1501 0.4579 0.0057 1.0 C C7 1 0.2202 0.9111 0.0263 1.0 C C8 1 0.2991 0.3797 0.7898 1.0 C C9 1 0.3118 0.8585 0.8935 1.0 C C10 1 0.4183 0.5385 0.6731 1.0 C C11 1 0.5333 0.3474 0.5807 1.0 C C12 1 0.5392 0.7998 0.6924 1.0 C C13 1 0.5535 0.0221 0.5916 1.0 C C14 1 0.6512 0.9401 0.4736 1.0 C C15 1 0.6795 0.4175 0.4608 1.0 C C16 1 0.6896 0.8241 0.8264 1.0 C C17 1 0.6993 0.1469 0.8180 1.0 C C18 1 0.7428 0.6826 0.4134 1.0 C C19 1 0.7495 0.1663 0.3979 1.0 C C20 1 0.9008 0.7498 0.2954 1.0 C C21 1 0.9077 0.0630 0.2870 1.0 ]
Carbon-24
C-102909-4745-28
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 [Imma] _cell_length_a [2.5066] _cell_length_b [4.8128] _cell_length_c [4.1518] _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 '[C8]' _cell_volume [50.0865] _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 0.0857 0.6462 1.0 ]
Carbon-24
C-34631-1494-21
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 [Cmmm] _cell_length_a [4.1844] _cell_length_b [8.6240] _cell_length_c [2.4757] _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 [89.3395] _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 0.1850 0.1663 0.0000 1.0 C C1 8 0.1858 0.4106 0.5000 1.0 ]
Carbon-24
C-189692-2339-23
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 [5.9955] _cell_length_b [5.9142] _cell_length_c [2.4240] _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 [85.9518] _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 0.2032 0.2192 0.7500 1.0 C C1 4 0.0000 0.0749 0.7500 1.0 ]