# generated using pymatgen data_Lu9HfIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16879715 _cell_length_b 10.57852254 _cell_length_c 10.57852254 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu9HfIr6 _chemical_formula_sum 'Lu18 Hf2 Ir12' _cell_volume 690.32010278 _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 0.37642160 0.83604735 0.54158156 1.0 Lu Lu1 1 0.87642160 0.66395265 0.54158156 1.0 Lu Lu2 1 0.87642160 0.83604735 0.95841844 1.0 Lu Lu3 1 0.37642160 0.66395265 0.95841844 1.0 Lu Lu4 1 0.87661966 0.53942131 0.83576833 1.0 Lu Lu5 1 0.37661966 0.96057869 0.83576833 1.0 Lu Lu6 1 0.37661966 0.53942131 0.66423167 1.0 Lu Lu7 1 0.87661966 0.96057869 0.66423167 1.0 Lu Lu8 1 0.62338034 0.16423167 0.46057969 1.0 Lu Lu9 1 0.12338034 0.33576833 0.46057969 1.0 Lu Lu10 1 0.12338034 0.16423167 0.03942131 1.0 Lu Lu11 1 0.62338034 0.33576833 0.03942131 1.0 Lu Lu12 1 0.12357840 0.45841944 0.16395265 1.0 Lu Lu13 1 0.62357840 0.04158156 0.16395265 1.0 Lu Lu14 1 0.62357840 0.45841944 0.33604735 1.0 Lu Lu15 1 0.12357840 0.04158156 0.33604735 1.0 Lu Lu16 1 0.50000000 0.75000000 0.25000000 1.0 Lu Lu17 1 0.00000000 0.75000000 0.25000000 1.0 Hf Hf18 1 0.00000000 0.25000000 0.75000000 1.0 Hf Hf19 1 0.50000000 0.25000000 0.75000000 1.0 Ir Ir20 1 0.25000000 0.90473035 0.09526965 1.0 Ir Ir21 1 0.75000000 0.59526965 0.09526965 1.0 Ir Ir22 1 0.75000000 0.90473035 0.40473035 1.0 Ir Ir23 1 0.25000000 0.59526965 0.40473035 1.0 Ir Ir24 1 0.75000000 0.10488800 0.89511200 1.0 Ir Ir25 1 0.25000000 0.39511200 0.89511200 1.0 Ir Ir26 1 0.25000000 0.10488800 0.60488800 1.0 Ir Ir27 1 0.75000000 0.39511200 0.60488800 1.0 Ir Ir28 1 0.12512807 0.75000000 0.75000000 1.0 Ir Ir29 1 0.62512807 0.75000000 0.75000000 1.0 Ir Ir30 1 0.87487193 0.25000000 0.25000000 1.0 Ir Ir31 1 0.37487193 0.25000000 0.25000000 1.0