# generated using pymatgen data_Sc5Bi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70372444 _cell_length_b 8.88942466 _cell_length_c 11.31989967 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Bi2Sb _chemical_formula_sum 'Sc20 Bi8 Sb4' _cell_volume 775.20572416 _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 Sc Sc0 1 0.02571496 0.25000000 0.51146087 1.0 Sc Sc1 1 0.97428504 0.75000000 0.48853913 1.0 Sc Sc2 1 0.47428504 0.75000000 0.01146087 1.0 Sc Sc3 1 0.52571496 0.25000000 0.98853913 1.0 Sc Sc4 1 0.35292024 0.25000000 0.28523729 1.0 Sc Sc5 1 0.64707976 0.75000000 0.71476271 1.0 Sc Sc6 1 0.14707976 0.75000000 0.78523729 1.0 Sc Sc7 1 0.85292024 0.25000000 0.21476271 1.0 Sc Sc8 1 0.18287009 0.25000000 0.78244045 1.0 Sc Sc9 1 0.81712991 0.75000000 0.21755955 1.0 Sc Sc10 1 0.31712991 0.75000000 0.28244045 1.0 Sc Sc11 1 0.68287009 0.25000000 0.71755955 1.0 Sc Sc12 1 0.19219083 0.06551389 0.05922574 1.0 Sc Sc13 1 0.80780917 0.93448611 0.94077426 1.0 Sc Sc14 1 0.30780917 0.93448611 0.55922574 1.0 Sc Sc15 1 0.80780917 0.56551389 0.94077426 1.0 Sc Sc16 1 0.69219083 0.06551389 0.44077426 1.0 Sc Sc17 1 0.19219083 0.43448611 0.05922574 1.0 Sc Sc18 1 0.69219083 0.43448611 0.44077426 1.0 Sc Sc19 1 0.30780917 0.56551389 0.55922574 1.0 Bi Bi20 1 0.06591817 0.00414532 0.32584907 1.0 Bi Bi21 1 0.93408183 0.99585468 0.67415093 1.0 Bi Bi22 1 0.43408183 0.99585468 0.82584907 1.0 Bi Bi23 1 0.93408183 0.50414532 0.67415093 1.0 Bi Bi24 1 0.56591817 0.00414532 0.17415093 1.0 Bi Bi25 1 0.06591817 0.49585468 0.32584907 1.0 Bi Bi26 1 0.56591817 0.49585468 0.17415093 1.0 Bi Bi27 1 0.43408183 0.50414532 0.82584907 1.0 Sb Sb28 1 0.40829158 0.25000000 0.53872990 1.0 Sb Sb29 1 0.59170842 0.75000000 0.46127010 1.0 Sb Sb30 1 0.09170842 0.75000000 0.03872990 1.0 Sb Sb31 1 0.90829158 0.25000000 0.96127010 1.0