# generated using pymatgen data_Hf3ZnP2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30456555 _cell_length_b 6.30456625 _cell_length_c 4.03009838 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000148 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3ZnP2Ir3 _chemical_formula_sum 'Hf3 Zn1 P2 Ir3' _cell_volume 138.72561261 _cell_formula_units_Z 1 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 1.00000000 0.42672484 0.50000000 1.0 Hf Hf1 1 0.57327516 0.57327516 0.50000000 1.0 Hf Hf2 1 0.42672484 0.00000000 0.50000000 1.0 Zn Zn3 1 0.00000000 0.00000000 0.50000000 1.0 P P4 1 0.66666700 0.33333300 0.00000000 1.0 P P5 1 0.33333300 0.66666700 0.00000000 1.0 Ir Ir6 1 0.00000000 0.74522366 0.00000000 1.0 Ir Ir7 1 0.25477634 0.25477634 0.00000000 1.0 Ir Ir8 1 0.74522366 1.00000000 0.00000000 1.0