# generated using pymatgen data_Hf3Ti2Ir2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.95741653 _cell_length_b 7.97702171 _cell_length_c 5.21449888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.91873701 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ti2Ir2Au _chemical_formula_sum 'Hf6 Ti4 Ir4 Au2' _cell_volume 286.88716558 _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 Hf Hf0 1 0.23778486 0.00000000 0.25000000 1.0 Hf Hf1 1 0.76221514 1.00000000 0.75000000 1.0 Hf Hf2 1 0.00886073 0.25312489 0.25000000 1.0 Hf Hf3 1 0.99113927 0.74687511 0.75000000 1.0 Hf Hf4 1 0.75573584 0.74687511 0.25000000 1.0 Hf Hf5 1 0.24426416 0.25312489 0.75000000 1.0 Ti Ti6 1 0.32630225 0.65260651 0.00000000 1.0 Ti Ti7 1 0.67369775 0.34739349 0.00000000 1.0 Ti Ti8 1 0.67369775 0.34739349 0.50000000 1.0 Ti Ti9 1 0.32630225 0.65260651 0.50000000 1.0 Ir Ir10 1 0.00418618 0.60100066 0.25000000 1.0 Ir Ir11 1 0.99581382 0.39899934 0.75000000 1.0 Ir Ir12 1 0.40318452 0.39899934 0.25000000 1.0 Ir Ir13 1 0.59681548 0.60100066 0.75000000 1.0 Au Au14 1 0.59727561 0.00000000 0.25000000 1.0 Au Au15 1 0.40272439 1.00000000 0.75000000 1.0