# generated using pymatgen data_Zr3ZnIr2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51280288 _cell_length_b 8.51280284 _cell_length_c 8.51280348 _cell_angle_alpha 60.00000131 _cell_angle_beta 60.00000147 _cell_angle_gamma 60.00000302 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3ZnIr2N _chemical_formula_sum 'Zr12 Zn4 Ir8 N4' _cell_volume 436.21719529 _cell_formula_units_Z 4 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 0.80729929 0.19270071 0.19270071 1.0 Zr Zr1 1 0.19270071 0.80729929 0.19270071 1.0 Zr Zr2 1 0.80729929 0.80729929 0.19270071 1.0 Zr Zr3 1 0.19270071 0.80729929 0.80729929 1.0 Zr Zr4 1 0.80729929 0.19270071 0.80729929 1.0 Zr Zr5 1 0.19270071 0.19270071 0.80729929 1.0 Zr Zr6 1 0.44270071 0.05729929 0.05729929 1.0 Zr Zr7 1 0.05729929 0.44270071 0.05729929 1.0 Zr Zr8 1 0.44270071 0.44270071 0.05729929 1.0 Zr Zr9 1 0.05729929 0.44270071 0.44270071 1.0 Zr Zr10 1 0.44270071 0.05729929 0.44270071 1.0 Zr Zr11 1 0.05729929 0.05729929 0.44270071 1.0 Zn Zn12 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn13 1 0.62500000 0.62500000 0.62500000 1.0 Zn Zn14 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn15 1 0.62500000 0.12500000 0.62500000 1.0 Ir Ir16 1 0.41479819 0.41479819 0.75560343 1.0 Ir Ir17 1 0.41479819 0.41479819 0.41479819 1.0 Ir Ir18 1 0.75560343 0.41479819 0.41479819 1.0 Ir Ir19 1 0.41479819 0.75560343 0.41479819 1.0 Ir Ir20 1 0.83520181 0.83520181 0.49439657 1.0 Ir Ir21 1 0.83520181 0.83520181 0.83520181 1.0 Ir Ir22 1 0.49439657 0.83520181 0.83520181 1.0 Ir Ir23 1 0.83520181 0.49439657 0.83520181 1.0 N N24 1 0.12500000 0.12500000 0.62500000 1.0 N N25 1 0.12500000 0.12500000 0.12500000 1.0 N N26 1 0.62500000 0.12500000 0.12500000 1.0 N N27 1 0.12500000 0.62500000 0.12500000 1.0