# generated using pymatgen data_Sc5Bi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82967367 _cell_length_b 8.95686832 _cell_length_c 11.33686064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Bi3 _chemical_formula_sum 'Sc20 Bi12' _cell_volume 795.04673632 _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 0.19347713 0.06483646 0.06447898 1.0 Sc Sc1 1 0.30652287 0.06483646 0.56447898 1.0 Sc Sc2 1 0.30652287 0.43516354 0.56447898 1.0 Sc Sc3 1 0.32411667 0.75000000 0.26944912 1.0 Sc Sc4 1 0.47904205 0.75000000 0.99397986 1.0 Sc Sc5 1 0.16034228 0.25000000 0.78713782 1.0 Sc Sc6 1 0.80652287 0.93516354 0.93552102 1.0 Sc Sc7 1 0.66034228 0.75000000 0.71286218 1.0 Sc Sc8 1 0.02095795 0.75000000 0.49397986 1.0 Sc Sc9 1 0.69347713 0.93516354 0.43552102 1.0 Sc Sc10 1 0.19347713 0.43516354 0.06447898 1.0 Sc Sc11 1 0.33965772 0.25000000 0.28713782 1.0 Sc Sc12 1 0.17588333 0.75000000 0.76944912 1.0 Sc Sc13 1 0.97904205 0.25000000 0.50602014 1.0 Sc Sc14 1 0.69347713 0.56483646 0.43552102 1.0 Sc Sc15 1 0.67588333 0.25000000 0.73055088 1.0 Sc Sc16 1 0.80652287 0.56483646 0.93552102 1.0 Sc Sc17 1 0.52095795 0.25000000 0.00602014 1.0 Sc Sc18 1 0.82411667 0.25000000 0.23055088 1.0 Sc Sc19 1 0.83965772 0.75000000 0.21286218 1.0 Bi Bi20 1 0.06429094 0.49065370 0.32428610 1.0 Bi Bi21 1 0.56429094 0.50934630 0.17571390 1.0 Bi Bi22 1 0.40193595 0.75000000 0.52590106 1.0 Bi Bi23 1 0.93570906 0.99065370 0.67571390 1.0 Bi Bi24 1 0.43570906 0.00934630 0.82428610 1.0 Bi Bi25 1 0.56429094 0.99065370 0.17571390 1.0 Bi Bi26 1 0.09806405 0.75000000 0.02590106 1.0 Bi Bi27 1 0.43570906 0.49065370 0.82428610 1.0 Bi Bi28 1 0.06429094 0.00934630 0.32428610 1.0 Bi Bi29 1 0.93570906 0.50934630 0.67571390 1.0 Bi Bi30 1 0.59806405 0.25000000 0.47409894 1.0 Bi Bi31 1 0.90193595 0.25000000 0.97409894 1.0