# generated using pymatgen data_PrAl10IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84768432 _cell_length_b 6.84773599 _cell_length_c 9.14251516 _cell_angle_alpha 90.07190526 _cell_angle_beta 89.92790305 _cell_angle_gamma 97.29001770 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrAl10IrRu _chemical_formula_sum 'Pr2 Al20 Ir2 Ru2' _cell_volume 425.23691914 _cell_formula_units_Z 2 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 0.87364283 0.12635710 0.75020609 1.0 Pr Pr1 1 0.12635717 0.87364290 0.24979391 1.0 Al Al2 1 0.40701440 0.14130916 0.74830985 1.0 Al Al3 1 0.14130944 0.40701365 0.25169168 1.0 Al Al4 1 0.59298560 0.85869084 0.25169015 1.0 Al Al5 1 0.85869056 0.59298635 0.74830832 1.0 Al Al6 1 0.51688978 0.77801316 0.74734692 1.0 Al Al7 1 0.77801402 0.51688786 0.25264936 1.0 Al Al8 1 0.48311022 0.22198684 0.25265308 1.0 Al Al9 1 0.22198598 0.48311214 0.74735064 1.0 Al Al10 1 0.84056369 0.15943660 0.39896207 1.0 Al Al11 1 0.15943631 0.84056340 0.60103793 1.0 Al Al12 1 0.83989554 0.16012251 0.10443891 1.0 Al Al13 1 0.16010446 0.83987749 0.89556109 1.0 Al Al14 1 0.62254600 0.37745384 0.54889537 1.0 Al Al15 1 0.37745400 0.62254616 0.45110463 1.0 Al Al16 1 0.62091790 0.37908208 0.94895070 1.0 Al Al17 1 0.37908210 0.62091792 0.05104930 1.0 Al Al18 1 0.77460119 0.77459975 0.99999835 1.0 Al Al19 1 0.77444469 0.77444301 0.49999730 1.0 Al Al20 1 0.22539881 0.22540025 0.00000165 1.0 Al Al21 1 0.22555531 0.22555699 0.50000270 1.0 Ir Ir22 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru24 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru25 1 0.00000000 0.50000000 0.50000000 1.0