# generated using pymatgen data_ZrZnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.80447832 _cell_length_b 10.80447832 _cell_length_c 10.80447832 _cell_angle_alpha 127.15467084 _cell_angle_beta 117.72246058 _cell_angle_gamma 86.03438162 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnIr2 _chemical_formula_sum 'Zr1 Zn1 Ir2' _cell_volume 848.81329188 _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 Zr Zr0 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir2 1 0.00000000 0.26417200 0.26417200 1.0 Ir Ir3 1 0.00000000 0.73582800 0.73582800 1.0