# generated using pymatgen data_Sc22Ir3Os5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44957325 _cell_length_b 9.44025056 _cell_length_c 9.45927456 _cell_angle_alpha 59.99741362 _cell_angle_beta 59.90081809 _cell_angle_gamma 60.10061613 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Ir3Os5 _chemical_formula_sum 'Sc22 Ir3 Os5' _cell_volume 596.66714900 _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 0.80349579 0.80203747 0.19796253 1.0 Sc Sc1 1 0.19788003 0.80060873 0.19939127 1.0 Sc Sc2 1 0.80232164 0.19767836 0.19767836 1.0 Sc Sc3 1 0.19650421 0.19796253 0.80203747 1.0 Sc Sc4 1 0.80211997 0.19939127 0.80060873 1.0 Sc Sc5 1 0.19767836 0.80232164 0.80232164 1.0 Sc Sc6 1 0.61571355 0.61494257 0.15070227 1.0 Sc Sc7 1 0.61864061 0.15070227 0.61494257 1.0 Sc Sc8 1 0.14951605 0.61725072 0.61472601 1.0 Sc Sc9 1 0.61850522 0.61472601 0.61725072 1.0 Sc Sc10 1 0.38428645 0.38505743 0.84929773 1.0 Sc Sc11 1 0.38135939 0.84929773 0.38505743 1.0 Sc Sc12 1 0.85048395 0.38274928 0.38527399 1.0 Sc Sc13 1 0.38149478 0.38527399 0.38274928 1.0 Sc Sc14 1 0.84573424 0.84433828 0.46634731 1.0 Sc Sc15 1 0.84357917 0.46634731 0.84433828 1.0 Sc Sc16 1 0.46637687 0.84343588 0.84542471 1.0 Sc Sc17 1 0.84476154 0.84542471 0.84343588 1.0 Sc Sc18 1 0.15426576 0.15566172 0.53365269 1.0 Sc Sc19 1 0.15642083 0.53365269 0.15566172 1.0 Sc Sc20 1 0.53362313 0.15656412 0.15457529 1.0 Sc Sc21 1 0.15523846 0.15457529 0.15656412 1.0 Ir Ir22 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.00000000 1.0 Os Os25 1 0.00000000 0.00000000 0.00000000 1.0 Os Os26 1 0.50000000 0.50000000 0.50000000 1.0 Os Os27 1 0.00000000 0.00000000 0.50000000 1.0 Os Os28 1 0.00000000 0.50000000 0.50000000 1.0 Os Os29 1 0.50000000 0.50000000 0.00000000 1.0