# generated using pymatgen data_Sc22Ir5OsRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43964291 _cell_length_b 9.48086620 _cell_length_c 9.43962855 _cell_angle_alpha 59.85650869 _cell_angle_beta 59.97332697 _cell_angle_gamma 59.85659949 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Ir5OsRu2 _chemical_formula_sum 'Sc22 Ir5 Os1 Ru2' _cell_volume 595.95190058 _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 0.80384435 0.80179042 0.19604423 1.0 Sc Sc1 1 0.19762706 0.80246943 0.19762806 1.0 Sc Sc2 1 0.80395377 0.19820958 0.19615665 1.0 Sc Sc3 1 0.19615565 0.19820958 0.80395577 1.0 Sc Sc4 1 0.80237294 0.19753057 0.80237194 1.0 Sc Sc5 1 0.19604623 0.80179042 0.80384335 1.0 Sc Sc6 1 0.61643723 0.61722205 0.14898320 1.0 Sc Sc7 1 0.61631718 0.15065452 0.61631818 1.0 Sc Sc8 1 0.14898320 0.61722205 0.61643823 1.0 Sc Sc9 1 0.61633808 0.61666073 0.61633908 1.0 Sc Sc10 1 0.38356277 0.38277795 0.85101680 1.0 Sc Sc11 1 0.38368282 0.84934548 0.38368182 1.0 Sc Sc12 1 0.85101680 0.38277795 0.38356177 1.0 Sc Sc13 1 0.38366192 0.38333927 0.38366092 1.0 Sc Sc14 1 0.84218544 0.84648151 0.46471594 1.0 Sc Sc15 1 0.84368223 0.46678545 0.84368223 1.0 Sc Sc16 1 0.46471494 0.84648151 0.84218544 1.0 Sc Sc17 1 0.84365959 0.84567232 0.84365859 1.0 Sc Sc18 1 0.15781456 0.15351849 0.53528406 1.0 Sc Sc19 1 0.15631777 0.53321455 0.15631777 1.0 Sc Sc20 1 0.53528506 0.15351849 0.15781456 1.0 Sc Sc21 1 0.15634041 0.15432768 0.15634141 1.0 Ir Ir22 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir26 1 0.50000000 0.00000000 0.00000000 1.0 Os Os27 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru28 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru29 1 0.50000000 0.00000000 0.50000000 1.0