# generated using pymatgen data_Pr20Ir7PdRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.26292047 _cell_length_b 11.26292047 _cell_length_c 6.67617356 _cell_angle_alpha 90.11315138 _cell_angle_beta 90.11315138 _cell_angle_gamma 89.85129800 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr20Ir7PdRu4 _chemical_formula_sum 'Pr20 Ir7 Pd1 Ru4' _cell_volume 846.88901729 _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 0.29225767 0.08756699 0.38912611 1.0 Pr Pr1 1 0.29502441 0.90986130 0.88818350 1.0 Pr Pr2 1 0.70111005 0.08722826 0.87631442 1.0 Pr Pr3 1 0.70348008 0.90556378 0.38674751 1.0 Pr Pr4 1 0.58923822 0.79285299 0.88858532 1.0 Pr Pr5 1 0.58244000 0.20573229 0.38573658 1.0 Pr Pr6 1 0.40964171 0.79333217 0.38852494 1.0 Pr Pr7 1 0.40852358 0.20497508 0.88761038 1.0 Pr Pr8 1 0.20714701 0.41076178 0.61141468 1.0 Pr Pr9 1 0.20666783 0.59035829 0.11147506 1.0 Pr Pr10 1 0.79426771 0.41756000 0.11426342 1.0 Pr Pr11 1 0.79502492 0.59147642 0.61238962 1.0 Pr Pr12 1 0.91243301 0.70774233 0.11087389 1.0 Pr Pr13 1 0.91277174 0.29888995 0.62368558 1.0 Pr Pr14 1 0.09013870 0.70497559 0.61181650 1.0 Pr Pr15 1 0.09443622 0.29651992 0.11325249 1.0 Pr Pr16 1 0.00018144 0.99862294 0.49982662 1.0 Pr Pr17 1 0.00137706 0.99981856 0.00017338 1.0 Pr Pr18 1 0.50012639 0.49877441 0.99901280 1.0 Pr Pr19 1 0.50122559 0.49987361 0.50098720 1.0 Ir Ir20 1 0.84884785 0.84964736 0.74878297 1.0 Ir Ir21 1 0.15035264 0.15115215 0.75121703 1.0 Ir Ir22 1 0.15342872 0.84657128 0.25000000 1.0 Ir Ir23 1 0.65384231 0.34615769 0.75000000 1.0 Ir Ir24 1 0.65338703 0.65153543 0.24921942 1.0 Ir Ir25 1 0.34846457 0.34661297 0.25078058 1.0 Ir Ir26 1 0.34781027 0.65218973 0.75000000 1.0 Pd Pd27 1 0.84416402 0.15583598 0.25000000 1.0 Ru Ru28 1 0.50160254 0.99988642 0.12538149 1.0 Ru Ru29 1 0.50043089 0.99995676 0.62398416 1.0 Ru Ru30 1 0.00004324 0.49956911 0.87601584 1.0 Ru Ru31 1 0.00011358 0.49839746 0.37461851 1.0