# generated using pymatgen data_Hf9Mo4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73667979 _cell_length_b 8.73667943 _cell_length_c 8.44282366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999759 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Mo4Ir _chemical_formula_sum 'Hf18 Mo8 Ir2' _cell_volume 558.09891720 _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 0.19804385 0.80195615 0.44535138 1.0 Hf Hf1 1 0.19804385 0.39608671 0.44535138 1.0 Hf Hf2 1 0.60391329 0.80195615 0.44535138 1.0 Hf Hf3 1 0.80195615 0.19804385 0.55464862 1.0 Hf Hf4 1 0.80195615 0.60391329 0.55464862 1.0 Hf Hf5 1 0.39608671 0.19804385 0.55464862 1.0 Hf Hf6 1 0.80195615 0.19804385 0.94535138 1.0 Hf Hf7 1 0.80195615 0.60391329 0.94535138 1.0 Hf Hf8 1 0.39608671 0.19804385 0.94535138 1.0 Hf Hf9 1 0.19804385 0.80195615 0.05464862 1.0 Hf Hf10 1 0.19804385 0.39608671 0.05464862 1.0 Hf Hf11 1 0.60391329 0.80195615 0.05464862 1.0 Hf Hf12 1 0.54271340 0.45728660 0.25000000 1.0 Hf Hf13 1 0.54271340 0.08542680 0.25000000 1.0 Hf Hf14 1 0.91457320 0.45728660 0.25000000 1.0 Hf Hf15 1 0.45728660 0.54271340 0.75000000 1.0 Hf Hf16 1 0.45728660 0.91457320 0.75000000 1.0 Hf Hf17 1 0.08542680 0.54271340 0.75000000 1.0 Mo Mo18 1 0.88900754 0.11099246 0.25000000 1.0 Mo Mo19 1 0.88900754 0.77801407 0.25000000 1.0 Mo Mo20 1 0.22198593 0.11099246 0.25000000 1.0 Mo Mo21 1 0.11099246 0.88900754 0.75000000 1.0 Mo Mo22 1 0.11099246 0.22198593 0.75000000 1.0 Mo Mo23 1 0.77801407 0.88900754 0.75000000 1.0 Mo Mo24 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo25 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir26 1 0.33333300 0.66666700 0.25000000 1.0 Ir Ir27 1 0.66666700 0.33333300 0.75000000 1.0