# generated using pymatgen data_Sc5Bi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49765581 _cell_length_b 8.47358740 _cell_length_c 11.38434404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Bi2P _chemical_formula_sum 'Sc20 Bi8 P4' _cell_volume 723.27062191 _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 0.64758084 0.75000000 0.70173072 1.0 Sc Sc1 1 0.35241916 0.25000000 0.29826928 1.0 Sc Sc2 1 0.14758084 0.25000000 0.79826928 1.0 Sc Sc3 1 0.85241916 0.75000000 0.20173072 1.0 Sc Sc4 1 0.12554110 0.75000000 0.79666877 1.0 Sc Sc5 1 0.87445890 0.25000000 0.20333123 1.0 Sc Sc6 1 0.62554110 0.25000000 0.70333123 1.0 Sc Sc7 1 0.37445890 0.75000000 0.29666877 1.0 Sc Sc8 1 0.54066685 0.75000000 0.00054425 1.0 Sc Sc9 1 0.45933315 0.25000000 0.99945575 1.0 Sc Sc10 1 0.04066685 0.25000000 0.49945575 1.0 Sc Sc11 1 0.95933315 0.75000000 0.50054425 1.0 Sc Sc12 1 0.81905472 0.44533025 0.93872925 1.0 Sc Sc13 1 0.18094528 0.55466975 0.06127075 1.0 Sc Sc14 1 0.31905472 0.55466975 0.56127075 1.0 Sc Sc15 1 0.18094528 0.94533025 0.06127075 1.0 Sc Sc16 1 0.68094528 0.44533025 0.43872925 1.0 Sc Sc17 1 0.81905472 0.05466975 0.93872925 1.0 Sc Sc18 1 0.68094528 0.05466975 0.43872925 1.0 Sc Sc19 1 0.31905472 0.94533025 0.56127075 1.0 Bi Bi20 1 0.92439768 0.01109625 0.67338901 1.0 Bi Bi21 1 0.07560232 0.98890375 0.32661099 1.0 Bi Bi22 1 0.42439768 0.98890375 0.82661099 1.0 Bi Bi23 1 0.07560232 0.51109625 0.32661099 1.0 Bi Bi24 1 0.57560232 0.01109625 0.17338901 1.0 Bi Bi25 1 0.92439768 0.48890375 0.67338901 1.0 Bi Bi26 1 0.57560232 0.48890375 0.17338901 1.0 Bi Bi27 1 0.42439768 0.51109625 0.82661099 1.0 P P28 1 0.92205749 0.75000000 0.98212098 1.0 P P29 1 0.07794251 0.25000000 0.01787902 1.0 P P30 1 0.42205749 0.25000000 0.51787902 1.0 P P31 1 0.57794251 0.75000000 0.48212098 1.0