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Carbon-24_clean

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1.7k
Carbon-24
C-90800-1393-8
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 [2.4269] _cell_length_b [2.4269] _cell_length_c [2.9300] _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 [14.9455] _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-113056-5626-47
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 [4.3075] _cell_length_b [4.3075] _cell_length_c [2.4724] _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 [45.8743] _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 0.1805 0.8195 0.0000 1.0 ]
Carbon-24
C-142767-8046-18
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 [2.4295] _cell_length_b [2.4295] _cell_length_c [8.4209] _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 [43.0434] _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 0.1669 1.0 ]
Carbon-24
C-152581-906-40
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 [2.4602] _cell_length_b [4.1572] _cell_length_c [5.5717] _cell_angle_alpha [81.3639] _cell_angle_beta [89.4579] _cell_angle_gamma [87.6591] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [56.2903] _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 0.0126 0.3547 0.0272 1.0 C C1 1 0.1414 0.4557 0.7462 1.0 C C2 1 0.2125 0.9804 0.4137 1.0 C C3 1 0.2130 0.8123 0.6798 1.0 C C4 1 0.3612 0.8255 0.1783 1.0 C C5 1 0.5056 0.4544 0.1643 1.0 C C6 1 0.6539 0.2143 0.4035 1.0 C C7 1 0.6595 0.3026 0.6560 1.0 C C8 1 0.7255 0.9564 0.7816 1.0 C C9 1 0.8586 0.9767 0.0433 1.0 ]
Carbon-24
C-130505-1819-30
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 [2.4283] _cell_length_b [4.2055] _cell_length_c [3.0500] _cell_angle_alpha [90.0000] _cell_angle_beta [110.7840] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.1199] _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 0.1675 0.5000 1.0 ]
Carbon-24
C-126157-7089-29
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 [4.2048] _cell_length_b [2.4298] _cell_length_c [3.0776] _cell_angle_alpha [90.0000] _cell_angle_beta [114.2707] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.6638] _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 0.1659 0.0000 0.4994 1.0 ]
Carbon-24
C-76028-1827-47
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 [4.1840] _cell_length_b [8.6231] _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 [89.3220] _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 0.1849 0.3336 0.5000 1.0 C C1 8 0.1854 0.0889 0.0000 1.0 ]
Carbon-24
C-170900-9651-6
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/c] _cell_length_a [4.0518] _cell_length_b [9.1593] _cell_length_c [2.4837] _cell_angle_alpha [90.0000] _cell_angle_beta [101.0224] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [15] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.4744] _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 0.1154 0.1897 0.5259 1.0 C C1 8 0.1950 0.4522 0.3388 1.0 ]
Carbon-24
C-73663-9884-28
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 [2.5375] _cell_length_b [4.2601] _cell_length_c [9.3289] _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 [100.8456] _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 0.1615 0.8346 1.0 C C1 4 0.0000 0.1823 0.1008 1.0 C C2 4 0.0000 0.1860 0.6747 1.0 C C3 4 0.0000 0.3380 0.9571 1.0 ]
Carbon-24
C-34663-3579-14
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 [12.5095] _cell_length_b [2.4319] _cell_length_c [5.4144] _cell_angle_alpha [90.0000] _cell_angle_beta [91.5009] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [164.6590] _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 0.0157 0.0000 0.0786 1.0 C C1 2 0.0210 0.0000 0.7959 1.0 C C2 2 0.0270 0.5000 0.2048 1.0 C C3 2 0.0800 0.5000 0.7113 1.0 C C4 2 0.1013 0.5000 0.4312 1.0 C C5 2 0.1745 0.0000 0.4118 1.0 C C6 2 0.2019 0.5000 0.7822 1.0 C C7 2 0.2251 0.0000 0.1694 1.0 C C8 2 0.2285 0.5000 0.0461 1.0 C C9 2 0.2410 0.0000 0.6504 1.0 C C10 2 0.3587 0.0000 0.6588 1.0 C C11 2 0.4106 0.5000 0.6896 1.0 ]
Carbon-24
C-57165-511-33
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 [5.0695] _cell_length_b [4.2343] _cell_length_c [4.8230] _cell_angle_alpha [90.0000] _cell_angle_beta [106.2646] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.3877] _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 0.1575 0.1818 0.5869 1.0 C C1 8 0.2198 0.3368 0.8720 1.0 ]
Carbon-24
C-193911-8410-19
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 [4.9745] _cell_length_b [4.2413] _cell_length_c [3.6320] _cell_angle_alpha [90.0000] _cell_angle_beta [109.1890] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.3723] _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 0.1058 0.3195 0.3810 1.0 C C1 4 0.0000 0.1587 0.0000 1.0 ]
Carbon-24
C-130561-7361-20
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 [2.4733] _cell_length_b [4.6454] _cell_length_c [4.9168] _cell_angle_alpha [85.3864] _cell_angle_beta [81.9401] _cell_angle_gamma [86.1719] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [55.6649] _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 0.0579 0.8867 0.6238 1.0 C C1 2 0.0583 0.4005 0.8798 1.0 C C2 2 0.1959 0.5530 0.5799 1.0 C C3 2 0.4456 0.7794 0.0769 1.0 C C4 2 0.4803 0.0623 0.2094 1.0 ]
Carbon-24
C-28234-2764-25
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 [12.8333] _cell_length_b [2.4372] _cell_length_c [4.2292] _cell_angle_alpha [90.0000] _cell_angle_beta [95.3509] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [131.7002] _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 0.0612 0.5000 0.5298 1.0 C C1 4 0.0934 0.5000 0.8752 1.0 C C2 4 0.1007 0.0000 0.0345 1.0 C C3 4 0.1093 0.0000 0.3880 1.0 C C4 4 0.2244 0.0000 0.4815 1.0 ]
Carbon-24
C-57122-6468-34
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 [P1] _cell_length_a [3.3157] _cell_length_b [4.6858] _cell_length_c [5.3558] _cell_angle_alpha [72.2075] _cell_angle_beta [83.4029] _cell_angle_gamma [69.5514] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [74.2365] _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 0.0530 0.5811 0.1867 1.0 C C1 1 0.1112 0.0751 0.4849 1.0 C C2 1 0.1672 0.2673 0.8327 1.0 C C3 1 0.3526 0.3275 0.3785 1.0 C C4 1 0.3996 0.7442 0.6206 1.0 C C5 1 0.4218 0.4315 0.6074 1.0 C C6 1 0.5862 0.7140 0.8446 1.0 C C7 1 0.5888 0.9929 0.9088 1.0 C C8 1 0.7942 0.1559 0.2618 1.0 C C9 1 0.8042 0.8877 0.1626 1.0 C C10 1 0.8535 0.1842 0.7093 1.0 C C11 1 0.9008 0.4308 0.0240 1.0 ]
Carbon-24
C-134169-158-14
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 [P-1] _cell_length_a [2.4295] _cell_length_b [3.2577] _cell_length_c [10.5402] _cell_angle_alpha [94.5478] _cell_angle_beta [91.3287] _cell_angle_gamma [101.7318] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.3539] _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 0.0436 0.9093 0.0642 1.0 C C1 2 0.2167 0.8064 0.6519 1.0 C C2 2 0.2431 0.9589 0.5294 1.0 C C3 2 0.2773 0.2971 0.1514 1.0 C C4 2 0.2905 0.2580 0.2864 1.0 C C5 2 0.4805 0.6310 0.0675 1.0 ]
Carbon-24
C-76014-6220-11
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 [12.3780] _cell_length_b [2.4291] _cell_length_c [4.1537] _cell_angle_alpha [90.0000] _cell_angle_beta [102.2730] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [122.0370] _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 0.0526 0.0000 0.9596 1.0 C C1 4 0.1036 0.5000 0.9218 1.0 C C2 4 0.2227 0.5000 0.9091 1.0 C C3 4 0.2433 0.5000 0.5722 1.0 ]
Carbon-24
C-184054-4402-30
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 [6.3521] _cell_length_b [2.4533] _cell_length_c [5.3656] _cell_angle_alpha [90.0000] _cell_angle_beta [101.4703] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.9444] _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 0.1154 0.0000 0.0306 1.0 C C1 4 0.2227 0.5000 0.1608 1.0 C C2 4 0.2497 0.5000 0.4369 1.0 ]
Carbon-24
C-189694-8518-31
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 [3.5375] _cell_length_b [4.2871] _cell_length_c [4.4707] _cell_angle_alpha [63.6321] _cell_angle_beta [72.8038] _cell_angle_gamma [88.6630] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [57.5684] _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 0.0882 0.7204 0.2583 1.0 C C1 2 0.0912 0.6962 0.9328 1.0 C C2 2 0.1334 0.0520 0.2880 1.0 C C3 2 0.3350 0.4406 0.4580 1.0 C C4 2 0.4854 0.1744 0.3344 1.0 ]
Carbon-24
C-157721-7325-37
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 [7.4464] _cell_length_b [2.4840] _cell_length_c [6.8674] _cell_angle_alpha [90.0000] _cell_angle_beta [115.0503] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [115.0773] _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 0.0008 0.0000 0.1097 1.0 C C1 4 0.0555 0.5000 0.6183 1.0 C C2 4 0.0865 0.5000 0.2461 1.0 C C3 4 0.1893 0.0000 0.7060 1.0 C C4 4 0.2064 0.0000 0.9373 1.0 ]
Carbon-24
C-113064-8679-46
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 [4.2154] _cell_length_b [2.4236] _cell_length_c [3.1322] _cell_angle_alpha [90.0000] _cell_angle_beta [114.6573] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.0817] _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 0.5000 0.9995 1.0 ]
Carbon-24
C-96676-423-2
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 [4.9805] _cell_length_b [4.2436] _cell_length_c [3.6265] _cell_angle_alpha [90.0000] _cell_angle_beta [109.1027] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.4256] _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 0.1064 0.3193 0.8815 1.0 C C1 4 0.0000 0.1585 0.5000 1.0 ]
Carbon-24
C-145323-1843-36
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 [3.6253] _cell_length_b [12.5780] _cell_length_c [2.4661] _cell_angle_alpha [90.0000] _cell_angle_beta [117.5796] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.6711] _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 0.1367 0.1986 0.8489 1.0 C C1 4 0.0000 0.3813 0.0000 1.0 C C2 4 0.0000 0.4456 0.5000 1.0 ]
Carbon-24
C-136221-5891-10
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 [Fmmm] _cell_length_a [2.4909] _cell_length_b [6.7395] _cell_length_c [8.3442] _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 '[C24]' _cell_volume [140.0732] _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 16 0.0000 0.1846 0.4061 1.0 C C1 8 0.0000 0.0000 0.3030 1.0 ]
Carbon-24
C-134185-1570-31
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 [6.2782] _cell_length_b [2.4488] _cell_length_c [7.6784] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6279] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [113.6823] _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 0.0465 0.0000 0.0959 1.0 C C1 4 0.0900 0.5000 0.1874 1.0 C C2 4 0.1034 0.0000 0.4752 1.0 C C3 4 0.1594 0.5000 0.3841 1.0 ]
Carbon-24
C-176689-6597-25
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 [3.9319] _cell_length_b [4.3786] _cell_length_c [4.9376] _cell_angle_alpha [103.5140] _cell_angle_beta [103.8621] _cell_angle_gamma [109.5986] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [73.0222] _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 0.0035 0.2457 0.7586 1.0 C C1 2 0.1326 0.5011 0.6334 1.0 C C2 2 0.1524 0.1515 0.9989 1.0 C C3 2 0.3797 0.9985 0.3770 1.0 C C4 2 0.4895 0.2451 0.2415 1.0 ]
Carbon-24
C-34649-5321-57
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 [43.4754] _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-142755-3271-19
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 [P1] _cell_length_a [2.4531] _cell_length_b [6.4690] _cell_length_c [6.5148] _cell_angle_alpha [98.1896] _cell_angle_beta [96.2345] _cell_angle_gamma [100.2045] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.7541] _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 0.0229 0.9894 0.8367 1.0 C C1 1 0.1284 0.3666 0.6089 1.0 C C2 1 0.2412 0.4186 0.8538 1.0 C C3 1 0.2452 0.6051 0.6001 1.0 C C4 1 0.3215 0.6559 0.8547 1.0 C C5 1 0.4273 0.3280 0.2831 1.0 C C6 1 0.4449 0.9084 0.2547 1.0 C C7 1 0.4656 0.0145 0.4801 1.0 C C8 1 0.5368 0.2634 0.4994 1.0 C C9 1 0.5953 0.1037 0.8872 1.0 C C10 1 0.7425 0.3352 0.9457 1.0 C C11 1 0.7750 0.6965 0.5344 1.0 C C12 1 0.8876 0.3432 0.1793 1.0 C C13 1 0.8909 0.7766 0.9293 1.0 C C14 1 0.9158 0.8573 0.1557 1.0 C C15 1 0.9369 0.9249 0.5700 1.0 ]
Carbon-24
C-145389-5770-19
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 [4.2110] _cell_length_b [2.4272] _cell_length_c [3.0168] _cell_angle_alpha [90.0000] _cell_angle_beta [111.1412] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.7600] _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 0.4979 1.0 ]
Carbon-24
C-126183-8981-9
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 [6.9487] _cell_length_b [2.4820] _cell_length_c [4.2199] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7770] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.0381] _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 0.6823 1.0 C C1 4 0.0615 0.5000 0.1872 1.0 C C2 4 0.2404 0.0000 0.8891 1.0 ]
Carbon-24
C-53822-9555-23
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 [4.7678] _cell_length_b [5.5817] _cell_length_c [6.5511] _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 [174.3413] _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 0.2717 0.2420 0.2502 1.0 C C1 4 0.0000 0.1392 0.8073 1.0 C C2 4 0.2485 0.0000 0.1408 1.0 C C3 4 0.5000 0.1297 0.6088 1.0 C C4 4 0.5000 0.2449 0.9100 1.0 C C5 2 0.0000 0.0000 0.0056 1.0 C C6 2 0.5000 0.0000 0.0046 1.0 ]
Carbon-24
C-170906-4496-5
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 [P6_3/mmc] _cell_length_a [2.4803] _cell_length_b [2.4803] _cell_length_c [8.1790] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [194] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.5767] _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 0.0000 0.0930 1.0 C C1 4 0.3333 0.6667 0.8443 1.0 ]
Carbon-24
C-134195-9130-4
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 [7.2357] _cell_length_b [2.4834] _cell_length_c [5.2293] _cell_angle_alpha [90.0000] _cell_angle_beta [99.6669] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.6304] _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 0.0263 0.0000 0.1436 1.0 C C1 4 0.1009 0.5000 0.5300 1.0 C C2 4 0.1372 0.5000 0.2506 1.0 C C3 4 0.1487 0.0000 0.6950 1.0 ]
Carbon-24
C-75999-4861-53
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 [3.4346] _cell_length_b [4.6164] _cell_length_c [4.8580] _cell_angle_alpha [109.2228] _cell_angle_beta [97.5999] _cell_angle_gamma [106.7689] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [67.4036] _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 0.0913 0.6309 0.4524 1.0 C C1 2 0.1638 0.5138 0.1319 1.0 C C2 2 0.1682 0.1559 0.5382 1.0 C C3 2 0.2350 0.1814 0.0583 1.0 C C4 2 0.4523 0.1843 0.8091 1.0 C C5 2 0.4585 0.1396 0.3232 1.0 ]
Carbon-24
C-73651-4102-37
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 [6.2784] _cell_length_b [2.4488] _cell_length_c [7.6799] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6539] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [113.6972] _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 0.0430 0.0000 0.0960 1.0 C C1 4 0.0860 0.5000 0.1879 1.0 C C2 4 0.1032 0.0000 0.4758 1.0 C C3 4 0.1576 0.5000 0.3843 1.0 ]
Carbon-24
C-170896-9077-38
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 [2.5067] _cell_length_b [4.8270] _cell_length_c [4.1424] _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 [50.1227] _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 0.0863 0.6459 1.0 ]
Carbon-24
C-80205-231-9
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 [2.9958] _cell_length_b [4.2499] _cell_length_c [4.7988] _cell_angle_alpha [84.3519] _cell_angle_beta [72.8057] _cell_angle_gamma [73.6640] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [56.0018] _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 0.1856 0.9243 0.8858 1.0 C C1 2 0.4035 0.5743 0.8905 1.0 C C2 2 0.4039 0.0875 0.6276 1.0 C C3 2 0.4559 0.4126 0.6282 1.0 ]
Carbon-24
C-13925-8845-33
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 [3.5162] _cell_length_b [3.5162] _cell_length_c [3.3196] _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 [35.5433] _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 0.2318 0.4637 0.7500 1.0 ]
Carbon-24
C-106885-2076-17
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 [8.0975] _cell_length_b [2.4326] _cell_length_c [5.9645] _cell_angle_alpha [90.0000] _cell_angle_beta [128.7758] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [91.5945] _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 0.0386 0.5000 0.2846 1.0 C C1 4 0.0748 0.0000 0.4676 1.0 C C2 4 0.1903 0.5000 0.9969 1.0 C C3 4 0.2054 0.5000 0.2564 1.0 ]
Carbon-24
C-72754-2980-12
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 [4.1986] _cell_length_b [2.4300] _cell_length_c [3.2439] _cell_angle_alpha [90.0000] _cell_angle_beta [121.5038] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.2185] _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 0.1657 0.0000 0.4979 1.0 ]
Carbon-24
C-90835-6350-2
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 [Immm] _cell_length_a [2.4752] _cell_length_b [4.1609] _cell_length_c [12.9043] _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 '[C24]' _cell_volume [132.9032] _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 8 0.0000 0.1856 0.1115 1.0 C C1 8 0.0000 0.1861 0.4405 1.0 C C2 8 0.0000 0.3122 0.2222 1.0 ]
Carbon-24
C-150739-4923-53
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 [3.2993] _cell_length_b [5.3812] _cell_length_c [6.5277] _cell_angle_alpha [106.9901] _cell_angle_beta [95.6453] _cell_angle_gamma [103.0625] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [106.2728] _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 0.0013 0.5773 0.5075 1.0 C C1 1 0.0101 0.9694 0.1557 1.0 C C2 1 0.1141 0.7302 0.2089 1.0 C C3 1 0.1420 0.3092 0.4550 1.0 C C4 1 0.1504 0.4848 0.0315 1.0 C C5 1 0.2157 0.5464 0.8290 1.0 C C6 1 0.3510 0.1062 0.7612 1.0 C C7 1 0.3627 0.3295 0.6721 1.0 C C8 1 0.3773 0.2019 0.2728 1.0 C C9 1 0.3804 0.8370 0.6087 1.0 C C10 1 0.4955 0.3809 0.1441 1.0 C C11 1 0.5301 0.8386 0.3895 1.0 C C12 1 0.5978 0.7575 0.7863 1.0 C C13 1 0.7217 0.2432 0.9673 1.0 C C14 1 0.7380 0.0862 0.3346 1.0 C C15 1 0.7746 0.6265 0.3196 1.0 C C16 1 0.8052 0.5422 0.6982 1.0 C C17 1 0.8819 0.9980 0.9435 1.0 ]
Carbon-24
C-193954-5904-3
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 [5.9531] _cell_length_b [5.9727] _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 [86.2449] _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 0.2048 0.2182 0.2500 1.0 C C1 4 0.0000 0.0742 0.2500 1.0 ]
Carbon-24
C-47636-5638-22
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 [2.4903] _cell_length_b [4.2824] _cell_length_c [6.5662] _cell_angle_alpha [81.7510] _cell_angle_beta [79.1426] _cell_angle_gamma [87.7868] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [68.0550] _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 0.1070 0.1692 0.1492 1.0 C C1 1 0.2034 0.8037 0.1568 1.0 C C2 1 0.2118 0.7005 0.3895 1.0 C C3 1 0.3144 0.3563 0.4557 1.0 C C4 1 0.3318 0.2576 0.6927 1.0 C C5 1 0.4171 0.8879 0.6985 1.0 C C6 1 0.6680 0.8599 0.4683 1.0 C C7 1 0.6859 0.1899 0.0159 1.0 C C8 1 0.7551 0.8230 0.0226 1.0 C C9 1 0.7922 0.3704 0.8009 1.0 C C10 1 0.8560 0.7308 0.8071 1.0 C C11 1 0.8590 0.2058 0.3740 1.0 ]
Carbon-24
C-130262-6085-45
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 [P1] _cell_length_a [2.4841] _cell_length_b [7.3452] _cell_length_c [8.2976] _cell_angle_alpha [69.7451] _cell_angle_beta [83.1894] _cell_angle_gamma [81.7156] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [140.1691] _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 0.0022 0.4050 0.4283 1.0 C C1 1 0.0865 0.0195 0.5455 1.0 C C2 1 0.0892 0.6260 0.0918 1.0 C C3 1 0.1018 0.4199 0.2372 1.0 C C4 1 0.1131 0.8568 0.7225 1.0 C C5 1 0.2034 0.2415 0.1913 1.0 C C6 1 0.2224 0.6410 0.7362 1.0 C C7 1 0.2839 0.2668 0.0000 1.0 C C8 1 0.3599 0.6334 0.5660 1.0 C C9 1 0.3828 0.0572 0.0228 1.0 C C10 1 0.4432 0.5191 0.4472 1.0 C C11 1 0.4552 0.0700 0.8426 1.0 C C12 1 0.4856 0.7173 0.3065 1.0 C C13 1 0.5234 0.7949 0.4445 1.0 C C14 1 0.5674 0.8723 0.8228 1.0 C C15 1 0.6150 0.6643 0.9755 1.0 C C16 1 0.6299 0.9882 0.4435 1.0 C C17 1 0.7220 0.5572 0.8386 1.0 C C18 1 0.7330 0.1084 0.2531 1.0 C C19 1 0.7952 0.3415 0.8942 1.0 C C20 1 0.8785 0.9816 0.1241 1.0 C C21 1 0.9274 0.1941 0.7648 1.0 C C22 1 0.9938 0.7633 0.1987 1.0 C C23 1 0.9984 0.2142 0.5729 1.0 ]
Carbon-24
C-73637-6506-49
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 [8.8471] _cell_length_b [2.5562] _cell_length_c [4.5741] _cell_angle_alpha [90.0000] _cell_angle_beta [104.4798] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [100.1597] _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 0.0360 0.5000 0.3866 1.0 C C1 4 0.0471 0.5000 0.9044 1.0 C C2 4 0.2104 0.5000 0.4131 1.0 C C3 4 0.2124 0.5000 0.0508 1.0 ]
Carbon-24
C-106875-7579-42
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 [I4/mmm] _cell_length_a [4.3055] _cell_length_b [4.3055] _cell_length_c [2.4730] _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 [45.8431] _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 0.1803 0.8197 0.5000 1.0 ]
Carbon-24
C-134219-5441-24
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 [6.9056] _cell_length_b [2.4563] _cell_length_c [6.5159] _cell_angle_alpha [90.0000] _cell_angle_beta [108.4597] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [104.8370] _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 0.0066 0.0000 0.6224 1.0 C C1 4 0.1316 0.5000 0.7095 1.0 C C2 4 0.2189 0.0000 0.4268 1.0 C C3 4 0.2267 0.5000 0.9467 1.0 ]
Carbon-24
C-80164-8806-40
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 [P6_3/mmc] _cell_length_a [2.4730] _cell_length_b [2.4730] _cell_length_c [4.1179] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [194] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [21.8109] _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 0.3333 0.6667 0.0629 1.0 ]
Carbon-24
C-126147-4024-47
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 [3.5160] _cell_length_b [3.5160] _cell_length_c [3.3184] _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 [35.5257] _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 0.2318 0.4635 0.7500 1.0 ]
Carbon-24
C-28258-8310-9
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 [2.4290] _cell_length_c [8.4143] _cell_angle_alpha [89.2379] _cell_angle_beta [88.6970] _cell_angle_gamma [60.0142] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.0049] _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 0.2035 0.1872 0.5743 1.0 C C1 1 0.2270 0.2136 0.9094 1.0 C C2 1 0.4689 0.5820 0.2407 1.0 C C3 1 0.5364 0.5208 0.5736 1.0 C C4 1 0.8023 0.9154 0.2399 1.0 C C5 1 0.8933 0.8805 0.9101 1.0 ]
Carbon-24
C-170378-1288-5
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 [Cmmm] _cell_length_a [3.6463] _cell_length_b [8.9513] _cell_length_c [2.5833] _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 [84.3162] _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 0.1925 0.3274 0.0000 1.0 C C1 4 0.0000 0.0771 0.0000 1.0 ]
Carbon-24
C-148225-7911-11
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 [2.5331] _cell_length_b [3.7669] _cell_length_c [5.0531] _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 [48.2165] _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 0.3009 0.2532 1.0 C C1 2 0.5000 0.1943 0.4125 1.0 C C2 2 0.5000 0.3196 0.6893 1.0 C C3 1 0.0000 0.0000 0.0438 1.0 C C4 1 0.5000 0.0000 0.8733 1.0 ]
Carbon-24
C-145302-9438-23
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 [18.4495] _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 [98.0388] _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 0.0406 1.0 C C1 6 0.0000 0.0000 0.1801 1.0 C C2 6 0.0000 0.0000 0.2648 1.0 ]
Carbon-24
C-134193-3339-49
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 [5.0554] _cell_length_b [4.2316] _cell_length_c [4.8255] _cell_angle_alpha [90.0000] _cell_angle_beta [106.3151] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.0717] _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 0.1581 0.1815 0.5868 1.0 C C1 8 0.2211 0.3346 0.8722 1.0 ]
Carbon-24
C-170910-1502-67
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 [7.2326] _cell_length_b [2.4845] _cell_length_c [5.2207] _cell_angle_alpha [90.0000] _cell_angle_beta [99.3724] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.5603] _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 0.1434 1.0 C C1 4 0.1010 0.0000 0.5291 1.0 C C2 4 0.1383 0.0000 0.2496 1.0 C C3 4 0.1480 0.5000 0.6941 1.0 ]
Carbon-24
C-177276-5156-19
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 [C2/m] _cell_length_a [9.0153] _cell_length_b [2.4846] _cell_length_c [4.0875] _cell_angle_alpha [90.0000] _cell_angle_beta [96.9556] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.8829] _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 0.0000 0.3781 1.0 C C1 4 0.0583 0.5000 0.1533 1.0 C C2 4 0.2134 0.0000 0.5590 1.0 C C3 4 0.2277 0.5000 0.0851 1.0 ]
Carbon-24
C-53838-1497-16
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 [2.4833] _cell_length_b [3.8496] _cell_length_c [3.7390] _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 [35.7443] _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 0.2953 0.8814 1.0 C C1 2 0.2500 0.0000 0.6144 1.0 ]
Carbon-24
C-72720-4972-4
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] _cell_length_a [10.6183] _cell_length_b [2.4676] _cell_length_c [6.6895] _cell_angle_alpha [90.0000] _cell_angle_beta [117.1229] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [5] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [156.0006] _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 0.0073 0.2450 0.1148 1.0 C C1 4 0.0391 0.7882 0.4339 1.0 C C2 4 0.0522 0.7212 0.8257 1.0 C C3 4 0.1290 0.3049 0.4858 1.0 C C4 4 0.1639 0.3146 0.2859 1.0 C C5 4 0.2180 0.5416 0.9228 1.0 C C6 4 0.2451 0.8471 0.2829 1.0 ]
Carbon-24
C-136219-6599-2
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 [8.4233] _cell_length_b [2.4504] _cell_length_c [5.6834] _cell_angle_alpha [90.0000] _cell_angle_beta [97.8823] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [116.2014] _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 0.0780 0.5000 0.3815 1.0 C C1 4 0.0933 0.0000 0.0205 1.0 C C2 4 0.1000 0.5000 0.6474 1.0 C C3 4 0.1551 0.5000 0.1663 1.0 C C4 4 0.1645 0.0000 0.7862 1.0 ]
Carbon-24
C-28224-863-12
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 [C2/m] _cell_length_a [6.9478] _cell_length_b [2.4813] _cell_length_c [4.2187] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7605] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9946] _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 0.0193 0.5000 0.1826 1.0 C C1 4 0.0591 0.0000 0.6865 1.0 C C2 4 0.2421 0.5000 0.3893 1.0 ]
Carbon-24
C-172928-8845-41
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 [6.3393] _cell_length_b [2.4582] _cell_length_c [5.3346] _cell_angle_alpha [90.0000] _cell_angle_beta [98.0069] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.3199] _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 0.1146 0.5000 0.0328 1.0 C C1 4 0.2149 0.0000 0.1605 1.0 C C2 4 0.2467 0.0000 0.4365 1.0 ]
Carbon-24
C-92130-9945-21
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 [18.4441] _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 [98.0825] _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 0.3202 1.0 C C1 6 0.0000 0.0000 0.4598 1.0 C C2 6 0.0000 0.0000 0.7652 1.0 ]
Carbon-24
C-90804-2418-39
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 [3.5160] _cell_length_b [3.5160] _cell_length_c [3.5160] _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 [43.4640] _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-136206-8828-22
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 [7.1972] _cell_length_b [2.4622] _cell_length_c [7.7815] _cell_angle_alpha [90.0000] _cell_angle_beta [110.4444] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [129.2090] _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 0.0737 0.5000 0.3625 1.0 C C1 4 0.0887 0.0000 0.4781 1.0 C C2 4 0.1670 0.5000 0.7530 1.0 C C3 4 0.2337 0.5000 0.9542 1.0 C C4 4 0.2351 0.0000 0.6759 1.0 ]
Carbon-24
C-130544-211-23
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 [11.6307] _cell_length_b [2.4906] _cell_length_c [3.9363] _cell_angle_alpha [90.0000] _cell_angle_beta [97.8324] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [112.9597] _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 0.0144 0.5000 0.6833 1.0 C C1 4 0.0314 0.0000 0.1728 1.0 C C2 4 0.1454 0.5000 0.8414 1.0 C C3 4 0.1516 0.0000 0.0806 1.0 C C4 4 0.2485 0.5000 0.6179 1.0 ]
Carbon-24
C-170894-4901-61
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 [12.2188] _cell_length_b [2.4259] _cell_length_c [4.1454] _cell_angle_alpha [90.0000] _cell_angle_beta [108.1564] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [116.7596] _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 0.0495 0.0000 0.9425 1.0 C C1 4 0.0979 0.5000 0.8974 1.0 C C2 4 0.2221 0.5000 0.9047 1.0 C C3 4 0.2399 0.5000 0.5652 1.0 ]
Carbon-24
C-172939-8068-33
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 [2.4728] _cell_length_b [4.6227] _cell_length_c [5.3586] _cell_angle_alpha [104.4602] _cell_angle_beta [94.3818] _cell_angle_gamma [100.3960] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [57.8626] _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 0.1101 0.3360 0.7256 1.0 C C1 1 0.1589 0.5824 0.3187 1.0 C C2 1 0.2037 0.6104 0.6167 1.0 C C3 1 0.3030 0.9367 0.3590 1.0 C C4 1 0.3321 0.0723 0.1353 1.0 C C5 1 0.5843 0.4259 0.1873 1.0 C C6 1 0.6485 0.3200 0.8896 1.0 C C7 1 0.7721 0.8039 0.7007 1.0 C C8 1 0.7739 0.0204 0.9623 1.0 C C9 1 0.8706 0.0248 0.5263 1.0 ]
Carbon-24
C-170364-9439-6
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 [5.9808] _cell_length_b [2.4690] _cell_length_c [5.1618] _cell_angle_alpha [90.0000] _cell_angle_beta [93.9062] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [76.0443] _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 0.0128 0.5000 0.3721 1.0 C C1 4 0.0136 0.0000 0.2210 1.0 C C2 4 0.1811 0.0000 0.0016 1.0 ]
Carbon-24
C-134191-3585-2
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 [11.9667] _cell_length_b [2.4291] _cell_length_c [4.1672] _cell_angle_alpha [90.0000] _cell_angle_beta [109.8392] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [113.9462] _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 0.0459 0.0000 0.1604 1.0 C C1 4 0.0939 0.5000 0.3104 1.0 C C2 4 0.2204 0.5000 0.5440 1.0 C C3 4 0.2427 0.5000 0.9154 1.0 ]
Carbon-24
C-40132-5024-34
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 [2.5124] _cell_length_b [4.6263] _cell_length_c [5.4757] _cell_angle_alpha [68.2936] _cell_angle_beta [87.1892] _cell_angle_gamma [81.5371] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [58.4875] _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 0.0136 0.7042 0.9234 1.0 C C1 1 0.0149 0.9387 0.4284 1.0 C C2 1 0.0766 0.4949 0.2103 1.0 C C3 1 0.1045 0.1867 0.1560 1.0 C C4 1 0.5483 0.7246 0.5123 1.0 C C5 1 0.5542 0.5877 0.8175 1.0 C C6 1 0.5894 0.4810 0.3783 1.0 C C7 1 0.6281 0.2283 0.9839 1.0 C C8 1 0.7887 0.1567 0.5662 1.0 C C9 1 0.8074 0.0421 0.8236 1.0 ]
Carbon-24
C-176673-628-13
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 [C2/m] _cell_length_a [4.9822] _cell_length_b [4.2416] _cell_length_c [3.6310] _cell_angle_alpha [90.0000] _cell_angle_beta [109.2138] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.4599] _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 0.1065 0.1805 0.8817 1.0 C C1 4 0.0000 0.3418 0.5000 1.0 ]
Carbon-24
C-130544-211-12
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 [Cmmm] _cell_length_a [2.4793] _cell_length_b [11.1861] _cell_length_c [2.5645] _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 [71.1235] _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 0.0590 0.0000 1.0 C C1 4 0.0000 0.2885 0.5000 1.0 C C2 4 0.0000 0.3689 0.0000 1.0 ]
Carbon-24
C-193924-4401-34
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 [4.9826] _cell_length_b [4.2418] _cell_length_c [3.6334] _cell_angle_alpha [90.0000] _cell_angle_beta [109.2669] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.4916] _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 0.8815 1.0 C C1 4 0.0000 0.3419 0.5000 1.0 ]
Carbon-24
C-126175-5026-19
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 [2.4290] _cell_length_b [2.4290] _cell_length_c [8.3721] _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 [42.7792] _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 0.3340 1.0 ]
Carbon-24
C-28230-7089-4
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 [C2/m] _cell_length_a [6.2453] _cell_length_b [2.4642] _cell_length_c [5.2035] _cell_angle_alpha [90.0000] _cell_angle_beta [92.7823] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [79.9844] _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 0.1093 0.5000 0.9596 1.0 C C1 4 0.1950 0.0000 0.8346 1.0 C C2 4 0.2357 0.0000 0.5613 1.0 ]
Carbon-24
C-41264-888-30
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 [6.3281] _cell_length_b [2.4617] _cell_length_c [5.3073] _cell_angle_alpha [90.0000] _cell_angle_beta [95.0071] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.3603] _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 0.1134 0.0000 0.0347 1.0 C C1 4 0.2103 0.5000 0.1609 1.0 C C2 4 0.2419 0.5000 0.4369 1.0 ]
Carbon-24
C-102922-4323-39
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 [8.7544] _cell_length_b [2.4586] _cell_length_c [6.6743] _cell_angle_alpha [90.0000] _cell_angle_beta [106.4349] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [137.7872] _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 0.0046 0.0000 0.6059 1.0 C C1 2 0.1081 0.5000 0.6782 1.0 C C2 2 0.1468 0.5000 0.0813 1.0 C C3 2 0.1698 0.0000 0.4041 1.0 C C4 2 0.2042 0.5000 0.8935 1.0 C C5 2 0.2171 0.5000 0.5409 1.0 C C6 2 0.2218 0.0000 0.2090 1.0 C C7 2 0.3729 0.5000 0.6878 1.0 C C8 2 0.3794 0.5000 0.9136 1.0 C C9 2 0.4097 0.0000 0.2487 1.0 C C10 2 0.4595 0.0000 0.0394 1.0 C C11 2 0.4852 0.5000 0.3685 1.0 ]
Carbon-24
C-72744-8833-13
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 [C2/m] _cell_length_a [6.3054] _cell_length_b [2.4645] _cell_length_c [5.2634] _cell_angle_alpha [90.0000] _cell_angle_beta [91.3305] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.7690] _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 0.1127 0.5000 0.5369 1.0 C C1 4 0.2025 0.0000 0.6623 1.0 C C2 4 0.2390 0.0000 0.9373 1.0 ]
Carbon-24
C-92140-8673-51
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 [4.2014] _cell_length_b [2.4305] _cell_length_c [3.0316] _cell_angle_alpha [90.0000] _cell_angle_beta [108.3242] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.3880] _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 0.1659 0.5000 0.0003 1.0 ]
Carbon-24
C-40142-1323-36
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 [6.2722] _cell_length_b [2.4673] _cell_length_c [5.2039] _cell_angle_alpha [90.0000] _cell_angle_beta [92.4648] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [80.4593] _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 0.1104 0.0000 0.4601 1.0 C C1 4 0.1966 0.5000 0.3353 1.0 C C2 4 0.2356 0.5000 0.0614 1.0 ]
Carbon-24
C-130505-1819-31
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 [2.4829] _cell_length_b [3.8407] _cell_length_c [3.7481] _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 [35.7425] _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 0.2055 0.1177 1.0 C C1 2 0.2500 0.5000 0.3857 1.0 ]
Carbon-24
C-53832-8784-12
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 [P2_1/m] _cell_length_a [5.2460] _cell_length_b [2.4420] _cell_length_c [6.7086] _cell_angle_alpha [90.0000] _cell_angle_beta [90.5896] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [85.9354] _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 2 0.0199 0.2500 0.9500 1.0 C C1 2 0.0222 0.7500 0.4362 1.0 C C2 2 0.1642 0.2500 0.7532 1.0 C C3 2 0.2905 0.7500 0.3655 1.0 C C4 2 0.3320 0.7500 0.7638 1.0 C C5 2 0.4144 0.2500 0.3339 1.0 C C6 2 0.4677 0.7500 0.9575 1.0 ]
Carbon-24
C-170378-1288-35
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 [6.8706] _cell_length_b [2.4464] _cell_length_c [8.4968] _cell_angle_alpha [90.0000] _cell_angle_beta [107.2035] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [136.4288] _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 0.0060 0.5000 0.4165 1.0 C C1 4 0.0089 0.0000 0.3376 1.0 C C2 4 0.0135 0.0000 0.8401 1.0 C C3 4 0.0669 0.5000 0.0945 1.0 C C4 4 0.2365 0.0000 0.9446 1.0 ]
Carbon-24
C-130548-3221-35
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 [P-1] _cell_length_a [2.4229] _cell_length_b [2.4272] _cell_length_c [2.9943] _cell_angle_alpha [73.4585] _cell_angle_beta [84.3656] _cell_angle_gamma [60.0977] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [14.6132] _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 0.8337 0.0001 1.0 ]
Carbon-24
C-136210-9760-9
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 [6.2886] _cell_length_b [2.4677] _cell_length_c [5.2322] _cell_angle_alpha [90.0000] _cell_angle_beta [90.5314] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [81.1913] _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 0.1133 0.0000 0.4622 1.0 C C1 4 0.2015 0.5000 0.3369 1.0 C C2 4 0.2380 0.5000 0.0623 1.0 ]
Carbon-24
C-53828-4519-25
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 [Cmcm] _cell_length_a [5.9938] _cell_length_b [5.9012] _cell_length_c [2.4238] _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 [85.7304] _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 0.2188 0.2500 1.0 C C1 4 0.0000 0.0747 0.2500 1.0 ]
Carbon-24
C-170916-5949-4
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 [4.3013] _cell_length_b [8.5760] _cell_length_c [3.6730] _cell_angle_alpha [90.0000] _cell_angle_beta [125.4734] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [110.3392] _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 0.1121 0.3413 0.7523 1.0 C C1 4 0.0000 0.2344 0.0000 1.0 C C2 4 0.0838 0.5000 0.8945 1.0 ]
Carbon-24
C-28213-8691-11
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 [Fmmm] _cell_length_a [2.4909] _cell_length_b [6.7399] _cell_length_c [8.3393] _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 '[C24]' _cell_volume [139.9994] _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 16 0.0000 0.1850 0.4059 1.0 C C1 8 0.0000 0.0000 0.3031 1.0 ]
Carbon-24
C-40134-7379-7
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 [4.2168] _cell_length_b [2.4245] _cell_length_c [3.0776] _cell_angle_alpha [90.0000] _cell_angle_beta [113.6186] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.8283] _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 0.1661 0.0000 0.4983 1.0 ]
Carbon-24
C-90858-8157-40
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 [P-1] _cell_length_a [3.6991] _cell_length_b [4.2066] _cell_length_c [4.2702] _cell_angle_alpha [60.6639] _cell_angle_beta [75.9456] _cell_angle_gamma [68.3251] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [53.6735] _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 0.0289 0.3344 0.9996 1.0 C C1 2 0.0688 0.3052 0.6612 1.0 C C2 2 0.1161 0.9658 0.3361 1.0 C C3 2 0.4852 0.1055 0.5828 1.0 ]
Carbon-24
C-176689-6597-32
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 [6.9500] _cell_length_b [2.4793] _cell_length_c [4.2178] _cell_angle_alpha [90.0000] _cell_angle_beta [105.6077] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9957] _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 0.0181 0.0000 0.1824 1.0 C C1 4 0.0602 0.5000 0.6862 1.0 C C2 4 0.2406 0.0000 0.3886 1.0 ]
Carbon-24
C-106842-844-45
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 [P1] _cell_length_a [3.3024] _cell_length_b [3.8966] _cell_length_c [6.1771] _cell_angle_alpha [89.6762] _cell_angle_beta [84.5167] _cell_angle_gamma [73.3321] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [75.7792] _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 0.0656 0.8161 0.3309 1.0 C C1 1 0.1235 0.1651 0.3649 1.0 C C2 1 0.2498 0.3404 0.1507 1.0 C C3 1 0.2507 0.3029 0.7558 1.0 C C4 1 0.4138 0.1447 0.9441 1.0 C C5 1 0.4500 0.1374 0.5422 1.0 C C6 1 0.4918 0.5563 0.2558 1.0 C C7 1 0.6967 0.4013 0.4475 1.0 C C8 1 0.7605 0.8388 0.9378 1.0 C C9 1 0.7820 0.7493 0.5392 1.0 C C10 1 0.8564 0.6722 0.1457 1.0 C C11 1 0.9505 0.6383 0.7500 1.0 ]
Carbon-24
C-34639-131-33
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 [14.7169] _cell_length_b [2.4375] _cell_length_c [5.6552] _cell_angle_alpha [90.0000] _cell_angle_beta [99.5487] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [200.0575] _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 0.0168 0.0000 0.8399 1.0 C C1 2 0.0186 0.5000 0.2061 1.0 C C2 2 0.0779 0.5000 0.8354 1.0 C C3 2 0.0894 0.5000 0.5941 1.0 C C4 2 0.1290 0.5000 0.2351 1.0 C C5 2 0.1690 0.5000 0.0024 1.0 C C6 2 0.1718 0.5000 0.5001 1.0 C C7 2 0.2229 0.0000 0.9364 1.0 C C8 2 0.2241 0.0000 0.6132 1.0 C C9 2 0.3179 0.0000 0.5723 1.0 C C10 2 0.3237 0.0000 0.0296 1.0 C C11 2 0.3618 0.5000 0.5636 1.0 C C12 2 0.3716 0.5000 0.0475 1.0 C C13 2 0.4598 0.5000 0.5657 1.0 C C14 2 0.4756 0.5000 0.0707 1.0 C C15 2 0.4988 0.0000 0.4588 1.0 ]
Carbon-24
C-152575-7588-14
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 [5.8975] _cell_length_b [2.4578] _cell_length_c [9.3782] _cell_angle_alpha [90.0000] _cell_angle_beta [96.7624] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [134.9883] _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 0.0118 0.0000 0.9277 1.0 C C1 4 0.0216 0.5000 0.8522 1.0 C C2 4 0.0294 0.0000 0.6250 1.0 C C3 4 0.0373 0.5000 0.7086 1.0 C C4 4 0.1798 0.0000 0.5015 1.0 ]
Carbon-24
C-13900-9247-20
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 [Fmmm] _cell_length_a [2.4321] _cell_length_b [4.1993] _cell_length_c [5.5160] _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 [56.3362] _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 0.1661 0.0000 1.0 ]
Carbon-24
C-13925-8845-25
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 [5.9846] _cell_length_b [2.4693] _cell_length_c [5.1767] _cell_angle_alpha [90.0000] _cell_angle_beta [92.9261] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [76.4002] _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 0.0118 0.0000 0.8727 1.0 C C1 4 0.0120 0.5000 0.7196 1.0 C C2 4 0.1794 0.5000 0.5003 1.0 ]
Carbon-24
C-47640-4572-24
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 [3.5169] _cell_length_b [3.5169] _cell_length_c [3.5169] _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 [43.5009] _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-41264-888-18
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 [Cmcm] _cell_length_a [5.9757] _cell_length_b [5.9313] _cell_length_c [2.4250] _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 [85.9522] _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 0.2818 0.7500 1.0 C C1 4 0.0000 0.4269 0.7500 1.0 ]
Carbon-24
C-76038-158-49
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 [4.2061] _cell_length_b [2.4276] _cell_length_c [3.3646] _cell_angle_alpha [90.0000] _cell_angle_beta [122.5385] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.9622] _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 0.1661 0.5000 0.4991 1.0 ]