# generated using pymatgen data_Hf4CuMoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59408397 _cell_length_b 6.53327866 _cell_length_c 13.77470175 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99875080 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4CuMoIr2 _chemical_formula_sum 'Hf12 Cu3 Mo3 Ir6' _cell_volume 413.43983225 _cell_formula_units_Z 3 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 0.49999364 0.25005339 0.00073846 1.0 Hf Hf1 1 0.49999364 0.74994661 0.00073846 1.0 Hf Hf2 1 0.99996851 0.25016490 0.16667723 1.0 Hf Hf3 1 0.99996851 0.74983510 0.16667723 1.0 Hf Hf4 1 0.49995784 0.25005167 0.33261004 1.0 Hf Hf5 1 0.49995784 0.74994833 0.33261004 1.0 Hf Hf6 1 0.99997561 0.25025402 0.49948062 1.0 Hf Hf7 1 0.99997561 0.74974598 0.49948062 1.0 Hf Hf8 1 0.50007391 0.24851333 0.66665424 1.0 Hf Hf9 1 0.50007391 0.75148667 0.66665424 1.0 Hf Hf10 1 0.00003017 0.25024638 0.83384538 1.0 Hf Hf11 1 0.00003017 0.74975362 0.83384538 1.0 Cu Cu12 1 0.49993990 0.00000000 0.49639760 1.0 Cu Cu13 1 0.00015799 0.50000000 0.66666062 1.0 Cu Cu14 1 0.49999699 0.00000000 0.83693967 1.0 Mo Mo15 1 0.99999361 0.50000000 0.99529238 1.0 Mo Mo16 1 0.49996202 0.00000000 0.16668157 1.0 Mo Mo17 1 0.99995377 0.50000000 0.33804928 1.0 Ir Ir18 1 0.99998832 0.00000000 0.99585879 1.0 Ir Ir19 1 0.49996568 0.50000000 0.16666794 1.0 Ir Ir20 1 0.99994674 0.00000000 0.33747618 1.0 Ir Ir21 1 0.49997225 0.50000000 0.50615572 1.0 Ir Ir22 1 0.00009482 0.00000000 0.66665173 1.0 Ir Ir23 1 0.50002955 0.50000000 0.82715860 1.0