# generated using pymatgen data_Lu2(Al3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46656399 _cell_length_b 7.46656399 _cell_length_c 9.34289686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.49321514 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2(Al3Ir)3 _chemical_formula_sum 'Lu4 Al18 Ir6' _cell_volume 453.36606099 _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 0.99496907 0.67249119 0.25000000 1.0 Lu Lu1 1 0.00503093 0.32750881 0.75000000 1.0 Lu Lu2 1 0.67249119 0.99496907 0.25000000 1.0 Lu Lu3 1 0.32750881 0.00503093 0.75000000 1.0 Al Al4 1 0.12979875 0.12979875 0.25000000 1.0 Al Al5 1 0.87020125 0.87020125 0.75000000 1.0 Al Al6 1 0.00121030 0.33562931 0.07505280 1.0 Al Al7 1 0.99878970 0.66437069 0.92494720 1.0 Al Al8 1 0.99878970 0.66437069 0.57505280 1.0 Al Al9 1 0.33562931 0.00121030 0.42494720 1.0 Al Al10 1 0.00121030 0.33562931 0.42494720 1.0 Al Al11 1 0.66437069 0.99878970 0.57505280 1.0 Al Al12 1 0.66437069 0.99878970 0.92494720 1.0 Al Al13 1 0.33562931 0.00121030 0.07505280 1.0 Al Al14 1 0.33336759 0.33336759 0.55332237 1.0 Al Al15 1 0.66663241 0.66663241 0.44667763 1.0 Al Al16 1 0.66663241 0.66663241 0.05332237 1.0 Al Al17 1 0.33336759 0.33336759 0.94667763 1.0 Al Al18 1 0.33962529 0.54927983 0.25000000 1.0 Al Al19 1 0.66037471 0.45072017 0.75000000 1.0 Al Al20 1 0.54927983 0.33962529 0.25000000 1.0 Al Al21 1 0.45072017 0.66037471 0.75000000 1.0 Ir Ir22 1 0.67253104 0.32746896 -0.00000000 1.0 Ir Ir23 1 0.32746896 0.67253104 -0.00000000 1.0 Ir Ir24 1 0.32746896 0.67253104 0.50000000 1.0 Ir Ir25 1 0.67253104 0.32746896 0.50000000 1.0 Ir Ir26 1 -0.00000000 -0.00000000 -0.00000000 1.0 Ir Ir27 1 -0.00000000 -0.00000000 0.50000000 1.0