# generated using pymatgen data_Zn5CuN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60866300 _cell_length_b 6.33210200 _cell_length_c 5.07586200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn5CuN4 _chemical_formula_sum 'Zn10 Cu2 N8' _cell_volume 244.54909341 _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 Zn Zn0 1 0.56926400 0.50489700 0.26251300 1.0 Zn Zn1 1 0.93073600 0.50489700 0.26251300 1.0 Zn Zn2 1 0.56926400 0.99510300 0.26251300 1.0 Zn Zn3 1 0.93073600 0.99510300 0.26251300 1.0 Zn Zn4 1 0.43073600 0.49510300 0.73748700 1.0 Zn Zn5 1 0.06926400 0.49510300 0.73748700 1.0 Zn Zn6 1 0.43073600 0.00489700 0.73748700 1.0 Zn Zn7 1 0.06926400 0.00489700 0.73748700 1.0 Zn Zn8 1 0.75000000 0.75000000 0.73894500 1.0 Zn Zn9 1 0.25000000 0.25000000 0.26105500 1.0 Cu Cu10 1 0.75000000 0.25000000 0.77255700 1.0 Cu Cu11 1 0.25000000 0.75000000 0.22744300 1.0 N N12 1 0.75000000 0.99968200 0.98701600 1.0 N N13 1 0.75000000 0.50031800 0.98701600 1.0 N N14 1 0.25000000 0.00031800 0.01298400 1.0 N N15 1 0.25000000 0.49968200 0.01298400 1.0 N N16 1 0.51335600 0.75000000 0.51768900 1.0 N N17 1 0.98664400 0.75000000 0.51768900 1.0 N N18 1 0.48664400 0.25000000 0.48231100 1.0 N N19 1 0.01335600 0.25000000 0.48231100 1.0