# generated using pymatgen data_Hf6CuMo2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60477680 _cell_length_b 6.52686749 _cell_length_c 13.80184012 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99999525 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6CuMo2Ir3 _chemical_formula_sum 'Hf12 Cu2 Mo4 Ir6' _cell_volume 414.81110275 _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 0.49996849 0.25013452 0.00088940 1.0 Hf Hf1 1 0.49996849 0.74986548 0.00088940 1.0 Hf Hf2 1 0.99992426 0.25021678 0.16699634 1.0 Hf Hf3 1 0.99992426 0.74978322 0.16699634 1.0 Hf Hf4 1 0.49992403 0.24978107 0.33299752 1.0 Hf Hf5 1 0.49992403 0.75021893 0.33299752 1.0 Hf Hf6 1 0.99996655 0.24987063 0.49911102 1.0 Hf Hf7 1 0.99996655 0.75012937 0.49911102 1.0 Hf Hf8 1 0.50007592 0.24870881 0.66622352 1.0 Hf Hf9 1 0.50007592 0.75129119 0.66622352 1.0 Hf Hf10 1 0.00008424 0.25130094 0.83377515 1.0 Hf Hf11 1 0.00008424 0.74869906 0.83377515 1.0 Cu Cu12 1 0.00025099 0.50000000 0.66500869 1.0 Cu Cu13 1 0.50028471 0.00000000 0.83501814 1.0 Mo Mo14 1 0.99996693 0.50000000 0.99571816 1.0 Mo Mo15 1 0.49991594 0.00000000 0.16449018 1.0 Mo Mo16 1 0.99991682 0.50000000 0.33550324 1.0 Mo Mo17 1 0.49996404 0.00000000 0.50428085 1.0 Ir Ir18 1 0.99994971 0.00000000 0.99517413 1.0 Ir Ir19 1 0.49992494 0.50000000 0.16541925 1.0 Ir Ir20 1 0.99992367 0.00000000 0.33457462 1.0 Ir Ir21 1 0.49994949 0.50000000 0.50482470 1.0 Ir Ir22 1 0.00003366 0.00000000 0.67013600 1.0 Ir Ir23 1 0.50003211 0.50000000 0.82986816 1.0