# generated using pymatgen data_Sc22Tc5IrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47848055 _cell_length_b 9.54281254 _cell_length_c 9.47848206 _cell_angle_alpha 59.77523083 _cell_angle_beta 60.44954367 _cell_angle_gamma 59.77523478 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Tc5IrRh2 _chemical_formula_sum 'Sc22 Tc5 Ir1 Rh2' _cell_volume 606.17588369 _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 0.80107796 0.80107796 0.19892204 1.0 Sc Sc1 1 0.19380668 0.80619332 0.19380668 1.0 Sc Sc2 1 0.80107796 0.19892204 0.19892204 1.0 Sc Sc3 1 0.19892204 0.19892204 0.80107796 1.0 Sc Sc4 1 0.80619332 0.19380668 0.80619332 1.0 Sc Sc5 1 0.19892204 0.80107796 0.80107796 1.0 Sc Sc6 1 0.61182516 0.61898724 0.15020136 1.0 Sc Sc7 1 0.61898724 0.15020136 0.61898724 1.0 Sc Sc8 1 0.15020136 0.61898724 0.61182516 1.0 Sc Sc9 1 0.61898724 0.61182516 0.61898724 1.0 Sc Sc10 1 0.38817484 0.38101276 0.84979864 1.0 Sc Sc11 1 0.38101276 0.84979864 0.38101276 1.0 Sc Sc12 1 0.84979864 0.38101276 0.38817484 1.0 Sc Sc13 1 0.38101276 0.38817484 0.38101276 1.0 Sc Sc14 1 0.84076565 0.84536387 0.46850560 1.0 Sc Sc15 1 0.84536387 0.46850560 0.84536387 1.0 Sc Sc16 1 0.46850560 0.84536387 0.84076565 1.0 Sc Sc17 1 0.84536387 0.84076565 0.84536387 1.0 Sc Sc18 1 0.15923435 0.15463613 0.53149440 1.0 Sc Sc19 1 0.15463613 0.53149440 0.15463613 1.0 Sc Sc20 1 0.53149440 0.15463613 0.15923435 1.0 Sc Sc21 1 0.15463613 0.15923435 0.15463613 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 Rh Rh28 1 0.50000000 0.00000000 0.50000000 1.0 Rh Rh29 1 0.00000000 0.50000000 0.00000000 1.0