# generated using pymatgen data_Hf2P2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81465591 _cell_length_b 6.43532816 _cell_length_c 7.30515152 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2P2IrRu _chemical_formula_sum 'Hf4 P4 Ir2 Ru2' _cell_volume 179.33096929 _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 0.75000000 0.52511131 0.32233418 1.0 Hf Hf1 1 0.25000000 0.97765777 0.82164570 1.0 Hf Hf2 1 0.75000000 0.02511131 0.17766582 1.0 Hf Hf3 1 0.25000000 0.47765777 0.67835430 1.0 P P4 1 0.25000000 0.73618417 0.11707933 1.0 P P5 1 0.25000000 0.23618417 0.38292067 1.0 P P6 1 0.75000000 0.26831559 0.87129168 1.0 P P7 1 0.75000000 0.76831559 0.62870832 1.0 Ir Ir8 1 0.25000000 0.34604888 0.06420403 1.0 Ir Ir9 1 0.25000000 0.84604888 0.43579597 1.0 Ru Ru10 1 0.75000000 0.14668128 0.55722147 1.0 Ru Ru11 1 0.75000000 0.64668128 0.94277853 1.0