# generated using pymatgen data_Zr13Sn3(Ir2N)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71352220 _cell_length_b 8.74042955 _cell_length_c 8.71352137 _cell_angle_alpha 60.10178298 _cell_angle_beta 59.99999943 _cell_angle_gamma 60.10177888 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr13Sn3(Ir2N)4 _chemical_formula_sum 'Zr13 Sn3 Ir8 N4' _cell_volume 469.97162281 _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 0.62500000 0.12500000 0.62500000 1.0 Zr Zr1 1 0.81188104 0.81599487 0.18606154 1.0 Zr Zr2 1 0.18463073 0.18965658 0.81285584 1.0 Zr Zr3 1 0.81285584 0.18965658 0.81285584 1.0 Zr Zr4 1 0.18606154 0.81599487 0.18606154 1.0 Zr Zr5 1 0.18606154 0.81599487 0.81188104 1.0 Zr Zr6 1 0.81285584 0.18965658 0.18463073 1.0 Zr Zr7 1 0.43811896 0.43400513 0.06393846 1.0 Zr Zr8 1 0.06536927 0.06034342 0.43714416 1.0 Zr Zr9 1 0.43714416 0.06034342 0.43714416 1.0 Zr Zr10 1 0.06393846 0.43400513 0.06393846 1.0 Zr Zr11 1 0.06393846 0.43400513 0.43811896 1.0 Zr Zr12 1 0.43714416 0.06034342 0.06536927 1.0 Sn Sn13 1 0.12500000 0.62500000 0.62500000 1.0 Sn Sn14 1 0.62500000 0.62500000 0.12500000 1.0 Sn Sn15 1 0.62500000 0.62500000 0.62500000 1.0 Ir Ir16 1 0.77310704 0.40080957 0.41304219 1.0 Ir Ir17 1 0.40835597 0.77493210 0.40835597 1.0 Ir Ir18 1 0.41304219 0.40080957 0.77310704 1.0 Ir Ir19 1 0.41304219 0.40080957 0.41304219 1.0 Ir Ir20 1 0.47689296 0.84919043 0.83695781 1.0 Ir Ir21 1 0.84164403 0.47506790 0.84164403 1.0 Ir Ir22 1 0.83695781 0.84919043 0.47689296 1.0 Ir Ir23 1 0.83695781 0.84919043 0.83695781 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0