# generated using pymatgen data_Pa(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80386781 _cell_length_b 6.80386877 _cell_length_c 9.07033372 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.64735187 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa(Al5Ru)2 _chemical_formula_sum 'Pa2 Al20 Ru4' _cell_volume 416.15500563 _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 Pa Pa0 1 0.87487349 0.12512651 0.75000000 1.0 Pa Pa1 1 0.12512651 0.87487349 0.25000000 1.0 Al Al2 1 0.77517989 0.77517989 0.00000000 1.0 Al Al3 1 0.77517989 0.77517989 0.50000000 1.0 Al Al4 1 0.22482011 0.22482011 0.00000000 1.0 Al Al5 1 0.22482011 0.22482011 0.50000000 1.0 Al Al6 1 0.62347598 0.37652402 0.95024254 1.0 Al Al7 1 0.37652402 0.62347598 0.04975746 1.0 Al Al8 1 0.62347598 0.37652402 0.54975746 1.0 Al Al9 1 0.37652402 0.62347598 0.45024254 1.0 Al Al10 1 0.84503984 0.15496016 0.39914877 1.0 Al Al11 1 0.15496016 0.84503984 0.60085123 1.0 Al Al12 1 0.84503984 0.15496016 0.10085123 1.0 Al Al13 1 0.15496016 0.84503984 0.89914877 1.0 Al Al14 1 0.40590842 0.14003367 0.75000000 1.0 Al Al15 1 0.14003367 0.40590842 0.25000000 1.0 Al Al16 1 0.59409158 0.85996633 0.25000000 1.0 Al Al17 1 0.85996633 0.59409158 0.75000000 1.0 Al Al18 1 0.51703368 0.77944214 0.75000000 1.0 Al Al19 1 0.77944214 0.51703368 0.25000000 1.0 Al Al20 1 0.48296632 0.22055786 0.25000000 1.0 Al Al21 1 0.22055786 0.48296632 0.75000000 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