# generated using pymatgen data_Sc22Tc5OsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59552719 _cell_length_b 9.59552791 _cell_length_c 9.49928992 _cell_angle_alpha 60.33122790 _cell_angle_beta 60.33122546 _cell_angle_gamma 59.33756292 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Tc5OsAu2 _chemical_formula_sum 'Sc22 Tc5 Os1 Au2' _cell_volume 618.34007863 _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 Sc Sc0 1 0.83887104 0.83887104 0.85243960 1.0 Sc Sc1 1 0.53018168 0.14756040 0.16112896 1.0 Sc Sc2 1 0.16112896 0.16112896 0.53018168 1.0 Sc Sc3 1 0.14756040 0.53018168 0.16112896 1.0 Sc Sc4 1 0.83887104 0.83887104 0.46981832 1.0 Sc Sc5 1 0.85243960 0.46981832 0.83887104 1.0 Sc Sc6 1 0.46981832 0.85243960 0.83887104 1.0 Sc Sc7 1 0.16112896 0.16112896 0.14756040 1.0 Sc Sc8 1 0.19572826 0.80427174 0.19572826 1.0 Sc Sc9 1 0.19572826 0.80427174 0.80427174 1.0 Sc Sc10 1 0.80427174 0.19572826 0.19572826 1.0 Sc Sc11 1 0.80367203 0.80367203 0.19632797 1.0 Sc Sc12 1 0.19632797 0.19632797 0.80367203 1.0 Sc Sc13 1 0.80427174 0.19572826 0.80427174 1.0 Sc Sc14 1 0.38158399 0.38158399 0.38985716 1.0 Sc Sc15 1 0.15302514 0.61014284 0.61841601 1.0 Sc Sc16 1 0.61014284 0.15302514 0.61841601 1.0 Sc Sc17 1 0.61841601 0.61841601 0.15302514 1.0 Sc Sc18 1 0.38985716 0.84697486 0.38158399 1.0 Sc Sc19 1 0.38158399 0.38158399 0.84697486 1.0 Sc Sc20 1 0.84697486 0.38985716 0.38158399 1.0 Sc Sc21 1 0.61841601 0.61841601 0.61014284 1.0 Tc Tc22 1 0.50000000 0.00000000 0.50000000 1.0 Tc Tc23 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc24 1 0.50000000 0.00000000 0.00000000 1.0 Tc Tc25 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc26 1 0.00000000 0.00000000 0.00000000 1.0 Os Os27 1 0.50000000 0.50000000 0.50000000 1.0 Au Au28 1 0.50000000 0.50000000 0.00000000 1.0 Au Au29 1 0.00000000 0.00000000 0.50000000 1.0