# generated using pymatgen data_Lu(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78432494 _cell_length_b 6.78432538 _cell_length_c 9.04129173 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.89741274 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu(Al5Ru)2 _chemical_formula_sum 'Lu2 Al20 Ru4' _cell_volume 413.13241532 _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 Lu Lu0 1 0.87127987 0.12872013 0.75000000 1.0 Lu Lu1 1 0.12872013 0.87127987 0.25000000 1.0 Al Al2 1 0.62356428 0.37643572 0.54813723 1.0 Al Al3 1 0.37643572 0.62356428 0.45186277 1.0 Al Al4 1 0.37643572 0.62356428 0.04813723 1.0 Al Al5 1 0.62356428 0.37643572 0.95186277 1.0 Al Al6 1 0.22538637 0.22538637 0.50000000 1.0 Al Al7 1 0.77461363 0.77461363 0.50000000 1.0 Al Al8 1 0.77461363 0.77461363 0.00000000 1.0 Al Al9 1 0.22538637 0.22538637 0.00000000 1.0 Al Al10 1 0.84495408 0.15504592 0.09965795 1.0 Al Al11 1 0.15504592 0.84495408 0.90034205 1.0 Al Al12 1 0.15504592 0.84495408 0.59965795 1.0 Al Al13 1 0.84495408 0.15504592 0.40034205 1.0 Al Al14 1 0.85808857 0.58787637 0.75000000 1.0 Al Al15 1 0.14191143 0.41212363 0.25000000 1.0 Al Al16 1 0.41212363 0.14191143 0.75000000 1.0 Al Al17 1 0.58787637 0.85808857 0.25000000 1.0 Al Al18 1 0.21844352 0.47960089 0.75000000 1.0 Al Al19 1 0.78155648 0.52039911 0.25000000 1.0 Al Al20 1 0.52039911 0.78155648 0.75000000 1.0 Al Al21 1 0.47960089 0.21844352 0.25000000 1.0 Ru Ru22 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru23 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru24 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru25 1 0.50000000 0.00000000 0.50000000 1.0