# generated using pymatgen data_CuGeN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26792000 _cell_length_b 10.54381000 _cell_length_c 13.19413200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuGeN2 _chemical_formula_sum 'Cu16 Ge16 N32' _cell_volume 732.85417611 _cell_formula_units_Z 16 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 Cu Cu0 1 0.69074300 0.96419000 0.43742200 1.0 Cu Cu1 1 0.19074300 0.53581000 0.56257800 1.0 Cu Cu2 1 0.30925700 0.46419000 0.06257800 1.0 Cu Cu3 1 0.80925700 0.03581000 0.93742200 1.0 Cu Cu4 1 0.30925700 0.03581000 0.56257800 1.0 Cu Cu5 1 0.80925700 0.46419000 0.43742200 1.0 Cu Cu6 1 0.69074300 0.53581000 0.93742200 1.0 Cu Cu7 1 0.19074300 0.96419000 0.06257800 1.0 Cu Cu8 1 0.77847800 0.28361900 0.30757700 1.0 Cu Cu9 1 0.27847800 0.21638100 0.69242300 1.0 Cu Cu10 1 0.22152200 0.78361900 0.19242300 1.0 Cu Cu11 1 0.72152200 0.71638100 0.80757700 1.0 Cu Cu12 1 0.22152200 0.71638100 0.69242300 1.0 Cu Cu13 1 0.72152200 0.78361900 0.30757700 1.0 Cu Cu14 1 0.77847800 0.21638100 0.80757700 1.0 Cu Cu15 1 0.27847800 0.28361900 0.19242300 1.0 Ge Ge16 1 0.65168900 0.03831800 0.18574300 1.0 Ge Ge17 1 0.15168900 0.46168200 0.81425700 1.0 Ge Ge18 1 0.34831100 0.53831800 0.31425800 1.0 Ge Ge19 1 0.84831100 0.96168200 0.68574300 1.0 Ge Ge20 1 0.34831100 0.96168200 0.81425700 1.0 Ge Ge21 1 0.84831100 0.53831800 0.18574300 1.0 Ge Ge22 1 0.65168900 0.46168200 0.68574300 1.0 Ge Ge23 1 0.15168900 0.03831800 0.31425800 1.0 Ge Ge24 1 0.78120300 0.29144000 0.06030500 1.0 Ge Ge25 1 0.28120300 0.20856000 0.93969500 1.0 Ge Ge26 1 0.21879700 0.79144000 0.43969500 1.0 Ge Ge27 1 0.71879700 0.70856000 0.56030500 1.0 Ge Ge28 1 0.21879700 0.70856000 0.93969500 1.0 Ge Ge29 1 0.71879700 0.79144000 0.06030500 1.0 Ge Ge30 1 0.78120300 0.20856000 0.56030500 1.0 Ge Ge31 1 0.28120300 0.29144000 0.43969500 1.0 N N32 1 0.67958000 0.48068300 0.30022800 1.0 N N33 1 0.17958000 0.01931700 0.69977200 1.0 N N34 1 0.32042000 0.98068300 0.19977200 1.0 N N35 1 0.82042000 0.51931700 0.80022800 1.0 N N36 1 0.32042000 0.51931700 0.69977200 1.0 N N37 1 0.82042000 0.98068300 0.30022800 1.0 N N38 1 0.67958000 0.01931700 0.80022800 1.0 N N39 1 0.17958000 0.48068300 0.19977200 1.0 N N40 1 0.63330900 0.27861400 0.44647700 1.0 N N41 1 0.13330900 0.22138600 0.55352300 1.0 N N42 1 0.36669100 0.77861400 0.05352300 1.0 N N43 1 0.86669100 0.72138600 0.94647700 1.0 N N44 1 0.36669100 0.72138600 0.55352300 1.0 N N45 1 0.86669100 0.77861400 0.44647700 1.0 N N46 1 0.63330900 0.22138600 0.94647700 1.0 N N47 1 0.13330900 0.27861400 0.05352300 1.0 N N48 1 0.70251000 0.46370000 0.07178600 1.0 N N49 1 0.20251000 0.03630000 0.92821400 1.0 N N50 1 0.29749000 0.96370000 0.42821400 1.0 N N51 1 0.79749000 0.53630000 0.57178600 1.0 N N52 1 0.29749000 0.53630000 0.92821400 1.0 N N53 1 0.79749000 0.96370000 0.07178600 1.0 N N54 1 0.70251000 0.03630000 0.57178600 1.0 N N55 1 0.20251000 0.46370000 0.42821400 1.0 N N56 1 0.64724000 0.21602200 0.17869200 1.0 N N57 1 0.14724000 0.28397800 0.82130800 1.0 N N58 1 0.35276000 0.71602200 0.32130800 1.0 N N59 1 0.85276000 0.78397800 0.67869200 1.0 N N60 1 0.35276000 0.78397800 0.82130800 1.0 N N61 1 0.85276000 0.71602200 0.17869200 1.0 N N62 1 0.64724000 0.28397800 0.67869200 1.0 N N63 1 0.14724000 0.21602200 0.32130800 1.0