# generated using pymatgen data_Ti3ZnCu2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.95973863 _cell_length_b 7.95973739 _cell_length_c 7.95973886 _cell_angle_alpha 59.99999392 _cell_angle_beta 59.99999907 _cell_angle_gamma 60.00000606 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3ZnCu2N _chemical_formula_sum 'Ti12 Zn4 Cu8 N4' _cell_volume 356.60002207 _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 Ti Ti0 1 0.81704231 0.81704231 0.18295769 1.0 Ti Ti1 1 0.18295769 0.18295769 0.81704231 1.0 Ti Ti2 1 0.81704231 0.18295769 0.81704231 1.0 Ti Ti3 1 0.18295769 0.81704231 0.18295769 1.0 Ti Ti4 1 0.18295769 0.81704231 0.81704231 1.0 Ti Ti5 1 0.81704231 0.18295769 0.18295769 1.0 Ti Ti6 1 0.43295769 0.43295769 0.06704231 1.0 Ti Ti7 1 0.06704231 0.06704231 0.43295769 1.0 Ti Ti8 1 0.43295769 0.06704231 0.43295769 1.0 Ti Ti9 1 0.06704231 0.43295769 0.06704231 1.0 Ti Ti10 1 0.06704231 0.43295769 0.43295769 1.0 Ti Ti11 1 0.43295769 0.06704231 0.06704231 1.0 Zn Zn12 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn13 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn14 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn15 1 0.62500000 0.62500000 0.62500000 1.0 Cu Cu16 1 0.75126767 0.41624478 0.41624478 1.0 Cu Cu17 1 0.41624478 0.75126767 0.41624478 1.0 Cu Cu18 1 0.41624478 0.41624478 0.75126767 1.0 Cu Cu19 1 0.41624478 0.41624478 0.41624478 1.0 Cu Cu20 1 0.49873233 0.83375522 0.83375522 1.0 Cu Cu21 1 0.83375522 0.49873233 0.83375522 1.0 Cu Cu22 1 0.83375522 0.83375522 0.49873233 1.0 Cu Cu23 1 0.83375522 0.83375522 0.83375522 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