# generated using pymatgen data_Pr20Ir4Ru3Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.26553958 _cell_length_b 11.26805351 _cell_length_c 6.64962182 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.98074205 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr20Ir4Ru3Rh5 _chemical_formula_sum 'Pr20 Ir4 Ru3 Rh5' _cell_volume 844.10761968 _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 0.29556688 0.09118762 0.38874353 1.0 Pr Pr1 1 0.29535970 0.91103914 0.88938937 1.0 Pr Pr2 1 0.70464030 0.08896086 0.88938937 1.0 Pr Pr3 1 0.70443312 0.90881238 0.38874353 1.0 Pr Pr4 1 0.58696633 0.79425927 0.89007889 1.0 Pr Pr5 1 0.58919266 0.20546453 0.38954141 1.0 Pr Pr6 1 0.41080734 0.79453547 0.38954141 1.0 Pr Pr7 1 0.41303367 0.20574073 0.89007889 1.0 Pr Pr8 1 0.20809777 0.41054048 0.61369345 1.0 Pr Pr9 1 0.20737276 0.58963638 0.10866171 1.0 Pr Pr10 1 0.79262724 0.41036362 0.10866171 1.0 Pr Pr11 1 0.79190223 0.58945952 0.61369345 1.0 Pr Pr12 1 0.90818584 0.70641476 0.10874404 1.0 Pr Pr13 1 0.90838058 0.29312404 0.61457021 1.0 Pr Pr14 1 0.09161942 0.70687596 0.61457021 1.0 Pr Pr15 1 0.09181416 0.29358524 0.10874404 1.0 Pr Pr16 1 0.00000000 0.00000000 0.49708957 1.0 Pr Pr17 1 0.00000000 0.00000000 0.99756016 1.0 Pr Pr18 1 0.50000000 0.50000000 0.99696844 1.0 Pr Pr19 1 0.50000000 0.50000000 0.49649476 1.0 Ir Ir20 1 0.65411899 0.34665491 0.74922062 1.0 Ir Ir21 1 0.65522598 0.65155833 0.24883465 1.0 Ir Ir22 1 0.34477402 0.34844167 0.24883465 1.0 Ir Ir23 1 0.34588101 0.65334509 0.74922062 1.0 Ru Ru24 1 0.50000000 0.00000000 0.13212154 1.0 Ru Ru25 1 0.50000000 0.00000000 0.63102026 1.0 Ru Ru26 1 0.00000000 0.50000000 0.87283548 1.0 Rh Rh27 1 0.84979179 0.15360798 0.24938600 1.0 Rh Rh28 1 0.84773936 0.84737570 0.74944890 1.0 Rh Rh29 1 0.15226064 0.15262430 0.74944890 1.0 Rh Rh30 1 0.15020821 0.84639202 0.24938600 1.0 Rh Rh31 1 0.00000000 0.50000000 0.37528322 1.0