# generated using pymatgen data_U(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81856374 _cell_length_b 6.81856374 _cell_length_c 9.06560082 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.52876499 _symmetry_Int_Tables_number 1 _chemical_formula_structural U(Al5Ru)2 _chemical_formula_sum 'U2 Al20 Ru4' _cell_volume 417.85173241 _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 U U0 1 0.87899802 0.12100198 0.75000000 1.0 U U1 1 0.12100198 0.87899802 0.25000000 1.0 Al Al2 1 0.77475808 0.77475808 0.00000000 1.0 Al Al3 1 0.77475808 0.77475808 0.50000000 1.0 Al Al4 1 0.22524192 0.22524192 0.00000000 1.0 Al Al5 1 0.22524192 0.22524192 0.50000000 1.0 Al Al6 1 0.62344603 0.37655397 0.94888348 1.0 Al Al7 1 0.37655397 0.62344603 0.05111652 1.0 Al Al8 1 0.62344603 0.37655397 0.55111652 1.0 Al Al9 1 0.37655397 0.62344603 0.44888348 1.0 Al Al10 1 0.84218928 0.15781072 0.39940318 1.0 Al Al11 1 0.15781072 0.84218928 0.60059682 1.0 Al Al12 1 0.84218928 0.15781072 0.10059682 1.0 Al Al13 1 0.15781072 0.84218928 0.89940318 1.0 Al Al14 1 0.40765620 0.13863245 0.75000000 1.0 Al Al15 1 0.13863245 0.40765620 0.25000000 1.0 Al Al16 1 0.59234380 0.86136755 0.25000000 1.0 Al Al17 1 0.86136755 0.59234380 0.75000000 1.0 Al Al18 1 0.51951312 0.78125746 0.75000000 1.0 Al Al19 1 0.78125746 0.51951312 0.25000000 1.0 Al Al20 1 0.48048688 0.21874254 0.25000000 1.0 Al Al21 1 0.21874254 0.48048688 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