# generated using pymatgen data_Cr23C6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41526312 _cell_length_b 7.41526571 _cell_length_c 7.41526423 _cell_angle_alpha 59.99910254 _cell_angle_beta 59.99913393 _cell_angle_gamma 59.99909309 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr23C6 _chemical_formula_sum 'Cr23 C6' _cell_volume 288.30764031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.61921012 0.14236121 0.61921233 1.0 Cr Cr1 1 0.85763620 0.38078768 0.38078314 1.0 Cr Cr2 1 0.38078711 0.85763649 0.38078601 1.0 Cr Cr3 1 0.38078284 0.38078757 0.85763649 1.0 Cr Cr4 1 0.61920917 0.61921665 0.61921149 1.0 Cr Cr5 1 0.65938947 0.34061038 0.00000425 1.0 Cr Cr6 1 0.65938643 -0.00000345 0.00000245 1.0 Cr Cr7 1 0.00000517 0.34060931 0.65939090 1.0 Cr Cr8 1 0.65938782 0.00000104 0.34061311 1.0 Cr Cr9 1 0.00000326 0.34060988 0.00000100 1.0 Cr Cr10 1 0.00000250 -0.00000386 0.65938850 1.0 Cr Cr11 1 0.00000191 0.00000129 0.34060682 1.0 Cr Cr12 1 0.00000172 0.65939263 0.34060795 1.0 Cr Cr13 1 0.34061283 0.00000053 0.65938979 1.0 Cr Cr14 1 0.00000021 0.65938623 -0.00000088 1.0 Cr Cr15 1 0.34060819 0.00000127 0.00000062 1.0 Cr Cr16 1 0.34060850 0.65939343 0.00000037 1.0 Cr Cr17 1 0.14236385 0.61921139 0.61921340 1.0 Cr Cr18 1 0.61921197 0.61921379 0.14236223 1.0 Cr Cr19 1 0.38078871 0.38078744 0.38078939 1.0 Cr Cr20 1 0.74999869 0.75000254 0.75000108 1.0 Cr Cr21 1 0.25000107 0.24999798 0.24999891 1.0 Cr Cr22 1 0.00000420 -0.00000096 0.00000209 1.0 C C23 1 0.27776500 0.72223410 0.72223398 1.0 C C24 1 0.27776707 0.72223534 0.27776585 1.0 C C25 1 0.72223153 0.27776605 0.72223289 1.0 C C26 1 0.27776606 0.27776514 0.72223590 1.0 C C27 1 0.72223278 0.72223484 0.27776447 1.0 C C28 1 0.72223462 0.27776606 0.27776646 1.0