# generated using pymatgen data_Sc5Bi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72566241 _cell_length_b 8.86334883 _cell_length_c 11.27411380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Bi2Te _chemical_formula_sum 'Sc20 Bi8 Te4' _cell_volume 771.99765762 _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 0.18710684 0.06485305 0.93730054 1.0 Sc Sc1 1 0.31289316 0.06485305 0.43730054 1.0 Sc Sc2 1 0.31289316 0.43514695 0.43730054 1.0 Sc Sc3 1 0.33384089 0.75000000 0.72294295 1.0 Sc Sc4 1 0.47992842 0.75000000 0.00434967 1.0 Sc Sc5 1 0.15618648 0.25000000 0.21228311 1.0 Sc Sc6 1 0.81289316 0.93514695 0.06269946 1.0 Sc Sc7 1 0.65618648 0.75000000 0.28771689 1.0 Sc Sc8 1 0.02007158 0.75000000 0.50434967 1.0 Sc Sc9 1 0.68710684 0.93514695 0.56269946 1.0 Sc Sc10 1 0.18710684 0.43514695 0.93730054 1.0 Sc Sc11 1 0.34381352 0.25000000 0.71228311 1.0 Sc Sc12 1 0.16615911 0.75000000 0.22294295 1.0 Sc Sc13 1 0.97992842 0.25000000 0.49565033 1.0 Sc Sc14 1 0.68710684 0.56485305 0.56269946 1.0 Sc Sc15 1 0.66615911 0.25000000 0.27705705 1.0 Sc Sc16 1 0.81289316 0.56485305 0.06269946 1.0 Sc Sc17 1 0.52007158 0.25000000 0.99565033 1.0 Sc Sc18 1 0.83384089 0.25000000 0.77705705 1.0 Sc Sc19 1 0.84381352 0.75000000 0.78771689 1.0 Bi Bi20 1 0.06730852 0.49175087 0.67465916 1.0 Bi Bi21 1 0.56730852 0.50824913 0.82534084 1.0 Bi Bi22 1 0.93269148 0.99175087 0.32534084 1.0 Bi Bi23 1 0.43269148 0.00824913 0.17465916 1.0 Bi Bi24 1 0.56730852 0.99175087 0.82534084 1.0 Bi Bi25 1 0.43269148 0.49175087 0.17465916 1.0 Bi Bi26 1 0.06730852 0.00824913 0.67465916 1.0 Bi Bi27 1 0.93269148 0.50824913 0.32534084 1.0 Te Te28 1 0.39814385 0.75000000 0.47213479 1.0 Te Te29 1 0.10185615 0.75000000 0.97213479 1.0 Te Te30 1 0.60185615 0.25000000 0.52786521 1.0 Te Te31 1 0.89814385 0.25000000 0.02786521 1.0