# generated using pymatgen data_Pr(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84984399 _cell_length_b 6.84984399 _cell_length_c 9.14819525 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.00066927 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr(Al5Ru)2 _chemical_formula_sum 'Pr2 Al20 Ru4' _cell_volume 426.03656286 _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 0.87692802 0.12307198 0.75000000 1.0 Pr Pr1 1 0.12307198 0.87692802 0.25000000 1.0 Al Al2 1 0.40798543 0.13797858 0.75000000 1.0 Al Al3 1 0.13797858 0.40798543 0.25000000 1.0 Al Al4 1 0.59201457 0.86202142 0.25000000 1.0 Al Al5 1 0.86202142 0.59201457 0.75000000 1.0 Al Al6 1 0.51766499 0.77944634 0.75000000 1.0 Al Al7 1 0.77944634 0.51766499 0.25000000 1.0 Al Al8 1 0.48233501 0.22055366 0.25000000 1.0 Al Al9 1 0.22055366 0.48233501 0.75000000 1.0 Al Al10 1 0.83758748 0.16241252 0.39829835 1.0 Al Al11 1 0.16241252 0.83758748 0.60170165 1.0 Al Al12 1 0.83758748 0.16241252 0.10170165 1.0 Al Al13 1 0.16241252 0.83758748 0.89829835 1.0 Al Al14 1 0.62239705 0.37760295 0.55118084 1.0 Al Al15 1 0.37760295 0.62239705 0.44881916 1.0 Al Al16 1 0.62239705 0.37760295 0.94881916 1.0 Al Al17 1 0.37760295 0.62239705 0.05118084 1.0 Al Al18 1 0.77089762 0.77089762 -0.00000000 1.0 Al Al19 1 0.77089762 0.77089762 0.50000000 1.0 Al Al20 1 0.22910238 0.22910238 -0.00000000 1.0 Al Al21 1 0.22910238 0.22910238 0.50000000 1.0 Ru Ru22 1 0.50000000 0.00000000 -0.00000000 1.0 Ru Ru23 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