# generated using pymatgen data_Sc22Fe2(IrRh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41828529 _cell_length_b 9.40249416 _cell_length_c 9.39700771 _cell_angle_alpha 60.13049038 _cell_angle_beta 60.05034982 _cell_angle_gamma 59.90587270 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Fe2(IrRh)3 _chemical_formula_sum 'Sc22 Fe2 Ir3 Rh3' _cell_volume 588.80371056 _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 0.80679441 0.80831653 0.19320559 1.0 Sc Sc1 1 0.19251484 0.80748516 0.19251484 1.0 Sc Sc2 1 0.80655667 0.19187250 0.19344333 1.0 Sc Sc3 1 0.19320559 0.19168347 0.80679441 1.0 Sc Sc4 1 0.80748516 0.19251484 0.80748516 1.0 Sc Sc5 1 0.19344333 0.80812750 0.80655667 1.0 Sc Sc6 1 0.61306110 0.61325026 0.15731717 1.0 Sc Sc7 1 0.61563416 0.15577051 0.61274825 1.0 Sc Sc8 1 0.15731717 0.61636847 0.61306110 1.0 Sc Sc9 1 0.61274825 0.61584508 0.61563416 1.0 Sc Sc10 1 0.38693890 0.38674974 0.84268283 1.0 Sc Sc11 1 0.38436584 0.84422949 0.38725175 1.0 Sc Sc12 1 0.84268283 0.38363153 0.38693890 1.0 Sc Sc13 1 0.38725175 0.38415492 0.38436584 1.0 Sc Sc14 1 0.84320958 0.84281685 0.47125333 1.0 Sc Sc15 1 0.84306554 0.47073526 0.84348236 1.0 Sc Sc16 1 0.47125333 0.84271823 0.84320958 1.0 Sc Sc17 1 0.84348236 0.84271483 0.84306554 1.0 Sc Sc18 1 0.15679042 0.15718315 0.52874667 1.0 Sc Sc19 1 0.15693446 0.52926474 0.15651764 1.0 Sc Sc20 1 0.52874667 0.15728177 0.15679042 1.0 Sc Sc21 1 0.15651764 0.15728517 0.15693446 1.0 Fe Fe22 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe23 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir24 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir25 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir26 1 0.50000000 0.50000000 0.00000000 1.0 Rh Rh27 1 0.00000000 0.50000000 0.50000000 1.0 Rh Rh28 1 0.00000000 0.50000000 0.00000000 1.0 Rh Rh29 1 0.50000000 0.00000000 0.00000000 1.0