# generated using pymatgen data_HfZr(PIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82057910 _cell_length_b 6.48746447 _cell_length_c 7.37299551 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr(PIr)2 _chemical_formula_sum 'Hf2 Zr2 P4 Ir4' _cell_volume 182.74611690 _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 0.25000000 0.02654452 0.32412628 1.0 Hf Hf1 1 0.25000000 0.52654452 0.17587372 1.0 Zr Zr2 1 0.75000000 0.97490483 0.67912522 1.0 Zr Zr3 1 0.75000000 0.47490483 0.82087478 1.0 P P4 1 0.25000000 0.26056414 0.62436570 1.0 P P5 1 0.25000000 0.76056414 0.87563430 1.0 P P6 1 0.75000000 0.74102171 0.37855349 1.0 P P7 1 0.75000000 0.24102171 0.12144651 1.0 Ir Ir8 1 0.25000000 0.14357318 0.94176929 1.0 Ir Ir9 1 0.25000000 0.64357318 0.55823071 1.0 Ir Ir10 1 0.75000000 0.85339063 0.07107065 1.0 Ir Ir11 1 0.75000000 0.35339063 0.42892935 1.0