# generated using pymatgen data_Hf13Sn3(Ir2N)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61047950 _cell_length_b 8.65935878 _cell_length_c 8.61047758 _cell_angle_alpha 60.18654551 _cell_angle_beta 59.99999608 _cell_angle_gamma 60.18654033 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf13Sn3(Ir2N)4 _chemical_formula_sum 'Hf13 Sn3 Ir8 N4' _cell_volume 455.24386123 _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 0.62500000 0.12500000 0.62500000 1.0 Hf Hf1 1 0.81218273 0.81757750 0.18511989 1.0 Hf Hf2 1 0.18527585 0.18794555 0.81338930 1.0 Hf Hf3 1 0.81338930 0.18794555 0.81338930 1.0 Hf Hf4 1 0.18511989 0.81757750 0.18511989 1.0 Hf Hf5 1 0.18511989 0.81757750 0.81218273 1.0 Hf Hf6 1 0.81338930 0.18794555 0.18527585 1.0 Hf Hf7 1 0.43781727 0.43242250 0.06488011 1.0 Hf Hf8 1 0.06472415 0.06205445 0.43661070 1.0 Hf Hf9 1 0.43661070 0.06205445 0.43661070 1.0 Hf Hf10 1 0.06488011 0.43242250 0.06488011 1.0 Hf Hf11 1 0.06488011 0.43242250 0.43781727 1.0 Hf Hf12 1 0.43661070 0.06205445 0.06472415 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 0.77446769 0.40013819 0.41269806 1.0 Ir Ir17 1 0.40749418 0.77751646 0.40749418 1.0 Ir Ir18 1 0.41269806 0.40013819 0.77446769 1.0 Ir Ir19 1 0.41269806 0.40013819 0.41269806 1.0 Ir Ir20 1 0.47553231 0.84986181 0.83730194 1.0 Ir Ir21 1 0.84250582 0.47248354 0.84250582 1.0 Ir Ir22 1 0.83730194 0.84986181 0.47553231 1.0 Ir Ir23 1 0.83730194 0.84986181 0.83730194 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