# generated using pymatgen data_Sc22Ir3Ru2Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44452284 _cell_length_b 9.45595247 _cell_length_c 9.46184302 _cell_angle_alpha 59.89946432 _cell_angle_beta 60.01929867 _cell_angle_gamma 59.92727798 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Ir3Ru2Rh3 _chemical_formula_sum 'Sc22 Ir3 Ru2 Rh3' _cell_volume 596.81430075 _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 0.80293435 0.80293435 0.19706565 1.0 Sc Sc1 1 0.19642689 0.80357311 0.19830111 1.0 Sc Sc2 1 0.80435357 0.19564643 0.19726306 1.0 Sc Sc3 1 0.19706565 0.19706565 0.80293435 1.0 Sc Sc4 1 0.80357311 0.19642689 0.80169889 1.0 Sc Sc5 1 0.19564643 0.80435357 0.80273694 1.0 Sc Sc6 1 0.61530324 0.61829161 0.15159627 1.0 Sc Sc7 1 0.61812470 0.14973681 0.61749315 1.0 Sc Sc8 1 0.14973681 0.61812470 0.61464734 1.0 Sc Sc9 1 0.61829161 0.61530324 0.61480989 1.0 Sc Sc10 1 0.38469676 0.38170839 0.84840373 1.0 Sc Sc11 1 0.38187530 0.85026319 0.38250685 1.0 Sc Sc12 1 0.85026319 0.38187530 0.38535266 1.0 Sc Sc13 1 0.38170839 0.38469676 0.38519011 1.0 Sc Sc14 1 0.84372802 0.84345349 0.46840675 1.0 Sc Sc15 1 0.84347116 0.46806913 0.84375511 1.0 Sc Sc16 1 0.46806913 0.84347116 0.84470460 1.0 Sc Sc17 1 0.84345349 0.84372802 0.84440974 1.0 Sc Sc18 1 0.15627198 0.15654651 0.53159325 1.0 Sc Sc19 1 0.15652884 0.53193087 0.15624489 1.0 Sc Sc20 1 0.53193087 0.15652884 0.15529540 1.0 Sc Sc21 1 0.15654651 0.15627198 0.15559026 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 0.00000000 0.00000000 1.0 Ru Ru25 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru26 1 0.50000000 0.50000000 0.50000000 1.0 Rh Rh27 1 0.50000000 0.00000000 0.50000000 1.0 Rh Rh28 1 0.50000000 0.50000000 0.00000000 1.0 Rh Rh29 1 0.00000000 0.50000000 0.00000000 1.0