# generated using pymatgen data_Hf3Ti3(Zn3N)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26251619 _cell_length_b 8.26251581 _cell_length_c 8.26251590 _cell_angle_alpha 59.99999574 _cell_angle_beta 59.99999728 _cell_angle_gamma 59.99999214 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ti3(Zn3N)2 _chemical_formula_sum 'Hf6 Ti6 Zn12 N4' _cell_volume 398.86128934 _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 0.43969271 0.06030729 0.06030729 1.0 Hf Hf1 1 0.06030729 0.43969271 0.06030729 1.0 Hf Hf2 1 0.43969271 0.43969271 0.06030729 1.0 Hf Hf3 1 0.06030729 0.43969271 0.43969271 1.0 Hf Hf4 1 0.43969271 0.06030729 0.43969271 1.0 Hf Hf5 1 0.06030729 0.06030729 0.43969271 1.0 Ti Ti6 1 0.82296563 0.17703437 0.17703437 1.0 Ti Ti7 1 0.17703437 0.82296563 0.17703437 1.0 Ti Ti8 1 0.82296563 0.82296563 0.17703437 1.0 Ti Ti9 1 0.17703437 0.82296563 0.82296563 1.0 Ti Ti10 1 0.82296563 0.17703437 0.82296563 1.0 Ti Ti11 1 0.17703437 0.17703437 0.82296563 1.0 Zn Zn12 1 0.41869268 0.41869268 0.74391997 1.0 Zn Zn13 1 0.41869268 0.41869268 0.41869268 1.0 Zn Zn14 1 0.74391997 0.41869268 0.41869268 1.0 Zn Zn15 1 0.41869268 0.74391997 0.41869268 1.0 Zn Zn16 1 0.83454397 0.83454397 0.49637009 1.0 Zn Zn17 1 0.83454397 0.83454397 0.83454397 1.0 Zn Zn18 1 0.49637009 0.83454397 0.83454397 1.0 Zn Zn19 1 0.83454397 0.49637009 0.83454397 1.0 Zn Zn20 1 0.62606176 0.62606176 0.12181371 1.0 Zn Zn21 1 0.62606176 0.62606176 0.62606176 1.0 Zn Zn22 1 0.12181371 0.62606176 0.62606176 1.0 Zn Zn23 1 0.62606176 0.12181371 0.62606176 1.0 N N24 1 0.12263317 0.12263317 0.63210050 1.0 N N25 1 0.12263317 0.12263317 0.12263317 1.0 N N26 1 0.63210050 0.12263317 0.12263317 1.0 N N27 1 0.12263317 0.63210050 0.12263317 1.0