# generated using pymatgen data_Zr3ZnCu2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43849084 _cell_length_b 8.43849049 _cell_length_c 8.43849143 _cell_angle_alpha 60.00000018 _cell_angle_beta 60.00000154 _cell_angle_gamma 60.00000409 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3ZnCu2N _chemical_formula_sum 'Zr12 Zn4 Cu8 N4' _cell_volume 424.89281146 _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 0.80989790 0.19010210 0.19010210 1.0 Zr Zr1 1 0.19010210 0.80989790 0.19010210 1.0 Zr Zr2 1 0.80989790 0.80989790 0.19010210 1.0 Zr Zr3 1 0.19010210 0.80989790 0.80989790 1.0 Zr Zr4 1 0.80989790 0.19010210 0.80989790 1.0 Zr Zr5 1 0.19010210 0.19010210 0.80989790 1.0 Zr Zr6 1 0.44010210 0.05989790 0.05989790 1.0 Zr Zr7 1 0.05989790 0.44010210 0.05989790 1.0 Zr Zr8 1 0.44010210 0.44010210 0.05989790 1.0 Zr Zr9 1 0.05989790 0.44010210 0.44010210 1.0 Zr Zr10 1 0.44010210 0.05989790 0.44010210 1.0 Zr Zr11 1 0.05989790 0.05989790 0.44010210 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 Cu Cu16 1 0.41955744 0.41955744 0.74132767 1.0 Cu Cu17 1 0.41955744 0.41955744 0.41955744 1.0 Cu Cu18 1 0.74132767 0.41955744 0.41955744 1.0 Cu Cu19 1 0.41955744 0.74132767 0.41955744 1.0 Cu Cu20 1 0.83044256 0.83044256 0.50867233 1.0 Cu Cu21 1 0.83044256 0.83044256 0.83044256 1.0 Cu Cu22 1 0.50867233 0.83044256 0.83044256 1.0 Cu Cu23 1 0.83044256 0.50867233 0.83044256 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