# generated using pymatgen data_Lu5Zr3Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52766494 _cell_length_b 6.92475195 _cell_length_c 8.28627738 _cell_angle_alpha 89.09971807 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Zr3Ir4 _chemical_formula_sum 'Lu5 Zr3 Ir4' _cell_volume 259.76722455 _cell_formula_units_Z 1 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 0.75000000 0.64885514 0.42026894 1.0 Lu Lu1 1 0.25000000 0.99316859 0.32967262 1.0 Lu Lu2 1 0.25000000 0.48369444 0.17000704 1.0 Lu Lu3 1 0.75000000 0.01313133 0.67664078 1.0 Lu Lu4 1 0.75000000 0.51313218 0.82254145 1.0 Zr Zr5 1 0.25000000 0.85806325 0.92460329 1.0 Zr Zr6 1 0.25000000 0.35630363 0.57541954 1.0 Zr Zr7 1 0.75000000 0.14325398 0.07826005 1.0 Ir Ir8 1 0.25000000 0.23815284 0.90809428 1.0 Ir Ir9 1 0.25000000 0.74186487 0.60361330 1.0 Ir Ir10 1 0.75000000 0.75919189 0.08283667 1.0 Ir Ir11 1 0.75000000 0.25118786 0.40804303 1.0