# generated using pymatgen data_ZnCuC8N5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27986261 _cell_length_b 8.27986261 _cell_length_c 8.27986261 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuC8N5 _chemical_formula_sum 'Zn1 Cu1 C8 N5' _cell_volume 401.37876640 _cell_formula_units_Z 1 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 0.75000000 0.75000000 0.75000000 1.0 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0 C C2 1 0.42765200 0.42765200 0.42765200 1.0 C C3 1 0.42765200 0.71704300 0.42765200 1.0 C C4 1 0.71704300 0.42765200 0.42765200 1.0 C C5 1 0.42765200 0.42765200 0.71704300 1.0 C C6 1 0.90446900 0.90446900 0.90446900 1.0 C C7 1 0.90446900 0.28659300 0.90446900 1.0 C C8 1 0.28659300 0.90446900 0.90446900 1.0 C C9 1 0.90446900 0.90446900 0.28659300 1.0 N N10 1 0.50000000 0.50000000 0.50000000 1.0 N N11 1 0.84677900 0.84677900 0.84677900 1.0 N N12 1 0.84677900 0.45966300 0.84677900 1.0 N N13 1 0.45966300 0.84677900 0.84677900 1.0 N N14 1 0.84677900 0.84677900 0.45966300 1.0