# generated using pymatgen data_Sc22Ir7Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.45688977 _cell_length_b 9.45688991 _cell_length_c 9.45689087 _cell_angle_alpha 60.00000012 _cell_angle_beta 59.99999961 _cell_angle_gamma 60.00000025 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Ir7Os _chemical_formula_sum 'Sc22 Ir7 Os1' _cell_volume 598.03973402 _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 0.80368420 0.80368420 0.19631580 1.0 Sc Sc1 1 0.19631580 0.80368420 0.19631580 1.0 Sc Sc2 1 0.80368420 0.19631580 0.19631580 1.0 Sc Sc3 1 0.19631580 0.19631580 0.80368420 1.0 Sc Sc4 1 0.80368420 0.19631580 0.80368420 1.0 Sc Sc5 1 0.19631580 0.80368420 0.80368420 1.0 Sc Sc6 1 0.61727003 0.61727003 0.14818991 1.0 Sc Sc7 1 0.61727003 0.14818991 0.61727003 1.0 Sc Sc8 1 0.14818991 0.61727003 0.61727003 1.0 Sc Sc9 1 0.61727003 0.61727003 0.61727003 1.0 Sc Sc10 1 0.38272997 0.38272997 0.85181009 1.0 Sc Sc11 1 0.38272997 0.85181009 0.38272997 1.0 Sc Sc12 1 0.85181009 0.38272997 0.38272997 1.0 Sc Sc13 1 0.38272997 0.38272997 0.38272997 1.0 Sc Sc14 1 0.84372616 0.84372616 0.46881952 1.0 Sc Sc15 1 0.84372616 0.46881952 0.84372616 1.0 Sc Sc16 1 0.46881952 0.84372616 0.84372616 1.0 Sc Sc17 1 0.84372616 0.84372616 0.84372616 1.0 Sc Sc18 1 0.15627384 0.15627384 0.53118048 1.0 Sc Sc19 1 0.15627384 0.53118048 0.15627384 1.0 Sc Sc20 1 0.53118048 0.15627384 0.15627384 1.0 Sc Sc21 1 0.15627384 0.15627384 0.15627384 1.0 Ir Ir22 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.00000000 1.0 Os Os29 1 0.00000000 0.00000000 0.00000000 1.0