# generated using pymatgen data_Pr20(Ir3Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.25686463 _cell_length_b 11.25686463 _cell_length_c 6.65766868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr20(Ir3Ru)3 _chemical_formula_sum 'Pr20 Ir9 Ru3' _cell_volume 843.63981047 _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 Pr Pr0 1 0.29479200 0.08988634 0.38841549 1.0 Pr Pr1 1 0.29468329 0.91162333 0.88881698 1.0 Pr Pr2 1 0.70531671 0.08837667 0.88881698 1.0 Pr Pr3 1 0.70520800 0.91011366 0.38841549 1.0 Pr Pr4 1 0.58837667 0.79468329 0.88881698 1.0 Pr Pr5 1 0.58988634 0.20520800 0.38841549 1.0 Pr Pr6 1 0.41011366 0.79479200 0.38841549 1.0 Pr Pr7 1 0.41162333 0.20531671 0.88881698 1.0 Pr Pr8 1 0.20730861 0.40962117 0.61403412 1.0 Pr Pr9 1 0.20671958 0.59082907 0.11077866 1.0 Pr Pr10 1 0.79328042 0.40917093 0.11077866 1.0 Pr Pr11 1 0.79269139 0.59037883 0.61403412 1.0 Pr Pr12 1 0.90917093 0.70671958 0.11077866 1.0 Pr Pr13 1 0.90962117 0.29269139 0.61403412 1.0 Pr Pr14 1 0.09037883 0.70730861 0.61403412 1.0 Pr Pr15 1 0.09082907 0.29328042 0.11077866 1.0 Pr Pr16 1 0.00000000 0.00000000 0.49718692 1.0 Pr Pr17 1 0.00000000 0.00000000 0.99739116 1.0 Pr Pr18 1 0.50000000 0.50000000 0.99739116 1.0 Pr Pr19 1 0.50000000 0.50000000 0.49718692 1.0 Ir Ir20 1 0.84794785 0.15322444 0.24923872 1.0 Ir Ir21 1 0.84725199 0.84658315 0.74891195 1.0 Ir Ir22 1 0.15274801 0.15341685 0.74891195 1.0 Ir Ir23 1 0.15205215 0.84677556 0.24923872 1.0 Ir Ir24 1 0.65341685 0.34725199 0.74891195 1.0 Ir Ir25 1 0.65322444 0.65205215 0.24923872 1.0 Ir Ir26 1 0.34677556 0.34794785 0.24923872 1.0 Ir Ir27 1 0.34658315 0.65274801 0.74891195 1.0 Ir Ir28 1 0.00000000 0.50000000 0.37706588 1.0 Ru Ru29 1 0.50000000 0.00000000 0.12679506 1.0 Ru Ru30 1 0.50000000 0.00000000 0.62664635 1.0 Ru Ru31 1 0.00000000 0.50000000 0.87955386 1.0