# generated using pymatgen data_Sc22Tc5Ir2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.54978171 _cell_length_b 9.47976073 _cell_length_c 9.54978282 _cell_angle_alpha 60.24225835 _cell_angle_beta 59.67090146 _cell_angle_gamma 60.24226236 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Tc5Ir2Au _chemical_formula_sum 'Sc22 Tc5 Ir2 Au1' _cell_volume 611.99847090 _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 0.80605140 0.80253554 0.19394860 1.0 Sc Sc1 1 0.19578744 0.80421256 0.19578744 1.0 Sc Sc2 1 0.80605140 0.19746446 0.19394860 1.0 Sc Sc3 1 0.19394860 0.19746446 0.80605140 1.0 Sc Sc4 1 0.80421256 0.19578744 0.80421256 1.0 Sc Sc5 1 0.19394860 0.80253554 0.80605140 1.0 Sc Sc6 1 0.60601004 0.62145405 0.15108086 1.0 Sc Sc7 1 0.61494726 0.14962731 0.61494726 1.0 Sc Sc8 1 0.15108086 0.62145405 0.60601004 1.0 Sc Sc9 1 0.61494726 0.62047718 0.61494726 1.0 Sc Sc10 1 0.39398996 0.37854595 0.84891914 1.0 Sc Sc11 1 0.38505274 0.85037269 0.38505274 1.0 Sc Sc12 1 0.84891914 0.37854595 0.39398996 1.0 Sc Sc13 1 0.38505274 0.37952282 0.38505274 1.0 Sc Sc14 1 0.84358159 0.84582527 0.46476686 1.0 Sc Sc15 1 0.83680350 0.47343722 0.83680350 1.0 Sc Sc16 1 0.46476686 0.84582527 0.84358159 1.0 Sc Sc17 1 0.83680350 0.85295478 0.83680350 1.0 Sc Sc18 1 0.15641841 0.15417473 0.53523314 1.0 Sc Sc19 1 0.16319650 0.52656278 0.16319650 1.0 Sc Sc20 1 0.53523314 0.15417473 0.15641841 1.0 Sc Sc21 1 0.16319650 0.14704522 0.16319650 1.0 Tc Tc22 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc23 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc24 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc25 1 0.50000000 0.50000000 0.00000000 1.0 Tc Tc26 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.50000000 1.0 Au Au29 1 0.00000000 0.50000000 0.00000000 1.0