# generated using pymatgen data_Zr4P4Ir3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83451498 _cell_length_b 6.53030987 _cell_length_c 7.35890961 _cell_angle_alpha 90.34105910 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4P4Ir3Ru _chemical_formula_sum 'Zr4 P4 Ir3 Ru1' _cell_volume 184.26803411 _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 0.75000000 0.52529763 0.32262022 1.0 Zr Zr1 1 0.25000000 0.97611613 0.82095361 1.0 Zr Zr2 1 0.75000000 0.02239365 0.17723406 1.0 Zr Zr3 1 0.25000000 0.47881421 0.67805760 1.0 P P4 1 0.25000000 0.73347240 0.11515600 1.0 P P5 1 0.25000000 0.23721653 0.37791574 1.0 P P6 1 0.75000000 0.26896394 0.87870343 1.0 P P7 1 0.75000000 0.76382391 0.62736393 1.0 Ir Ir8 1 0.25000000 0.35066122 0.06288617 1.0 Ir Ir9 1 0.25000000 0.85503205 0.43397803 1.0 Ir Ir10 1 0.75000000 0.14652206 0.56236956 1.0 Ru Ru11 1 0.75000000 0.64168727 0.94276265 1.0