# generated using pymatgen data_Hf3Zr3(Zn3N)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49181807 _cell_length_b 8.49181813 _cell_length_c 8.49243940 _cell_angle_alpha 60.00334845 _cell_angle_beta 60.00334824 _cell_angle_gamma 60.00016101 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr3(Zn3N)2 _chemical_formula_sum 'Hf6 Zr6 Zn12 N4' _cell_volume 433.05327836 _cell_formula_units_Z 2 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 0.43560934 0.06458464 0.06417807 1.0 Hf Hf1 1 0.06458464 0.43560934 0.06417807 1.0 Hf Hf2 1 0.43561377 0.43561377 0.06427222 1.0 Hf Hf3 1 0.06445291 0.43561561 0.43565554 1.0 Hf Hf4 1 0.43561561 0.06445291 0.43565554 1.0 Hf Hf5 1 0.06436506 0.06436506 0.43564958 1.0 Zr Zr6 1 0.81233738 0.18747634 0.18783576 1.0 Zr Zr7 1 0.18747634 0.81233738 0.18783576 1.0 Zr Zr8 1 0.81234935 0.81234935 0.18775010 1.0 Zr Zr9 1 0.18758724 0.81233135 0.81233255 1.0 Zr Zr10 1 0.81233135 0.18758724 0.81233255 1.0 Zr Zr11 1 0.18769974 0.18769974 0.81228931 1.0 Zn Zn12 1 0.41822960 0.41822960 0.74531591 1.0 Zn Zn13 1 0.41825836 0.41825836 0.41823106 1.0 Zn Zn14 1 0.74521843 0.41825920 0.41825243 1.0 Zn Zn15 1 0.41825920 0.74521843 0.41825243 1.0 Zn Zn16 1 0.83050740 0.83050740 0.50847859 1.0 Zn Zn17 1 0.83048531 0.83048531 0.83050792 1.0 Zn Zn18 1 0.50853495 0.83048093 0.83050250 1.0 Zn Zn19 1 0.83048093 0.50853495 0.83050250 1.0 Zn Zn20 1 0.62460553 0.62460553 0.12619248 1.0 Zn Zn21 1 0.62460681 0.62460681 0.62458599 1.0 Zn Zn22 1 0.12620368 0.62461420 0.62458552 1.0 Zn Zn23 1 0.62461420 0.12620368 0.62458552 1.0 N N24 1 0.12712242 0.12712242 0.61862841 1.0 N N25 1 0.12712742 0.12712742 0.12713604 1.0 N N26 1 0.61860638 0.12711865 0.12713982 1.0 N N27 1 0.12711865 0.61860638 0.12713982 1.0