# generated using pymatgen data_Cu3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44672800 _cell_length_b 7.44672800 _cell_length_c 7.41026200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3N _chemical_formula_sum 'Cu24 N8' _cell_volume 410.92687497 _cell_formula_units_Z 8 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 0.25135400 0.50000000 0.50000000 1.0 Cu Cu1 1 0.74864600 0.50000000 0.50000000 1.0 Cu Cu2 1 0.50000000 0.74864600 0.50000000 1.0 Cu Cu3 1 0.50000000 0.25135400 0.50000000 1.0 Cu Cu4 1 0.00000000 0.50000000 0.74495400 1.0 Cu Cu5 1 0.50000000 0.00000000 0.74495400 1.0 Cu Cu6 1 0.00000000 0.50000000 0.25504600 1.0 Cu Cu7 1 0.50000000 0.00000000 0.25504600 1.0 Cu Cu8 1 0.24516000 0.00000000 0.00000000 1.0 Cu Cu9 1 0.75484000 0.00000000 0.00000000 1.0 Cu Cu10 1 0.00000000 0.75484000 0.00000000 1.0 Cu Cu11 1 0.00000000 0.24516000 0.00000000 1.0 Cu Cu12 1 0.25528800 0.50000000 0.00000000 1.0 Cu Cu13 1 0.74471200 0.50000000 0.00000000 1.0 Cu Cu14 1 0.50000000 0.74471200 0.00000000 1.0 Cu Cu15 1 0.50000000 0.25528800 0.00000000 1.0 Cu Cu16 1 0.23925300 0.23925300 0.73157900 1.0 Cu Cu17 1 0.76074700 0.76074700 0.73157900 1.0 Cu Cu18 1 0.23925300 0.76074700 0.73157900 1.0 Cu Cu19 1 0.76074700 0.23925300 0.73157900 1.0 Cu Cu20 1 0.76074700 0.76074700 0.26842100 1.0 Cu Cu21 1 0.23925300 0.23925300 0.26842100 1.0 Cu Cu22 1 0.76074700 0.23925300 0.26842100 1.0 Cu Cu23 1 0.23925300 0.76074700 0.26842100 1.0 N N24 1 0.00000000 0.00000000 0.00000000 1.0 N N25 1 0.00000000 0.00000000 0.50000000 1.0 N N26 1 0.50000000 0.50000000 0.00000000 1.0 N N27 1 0.50000000 0.50000000 0.50000000 1.0 N N28 1 0.00000000 0.50000000 0.50000000 1.0 N N29 1 0.50000000 0.00000000 0.50000000 1.0 N N30 1 0.00000000 0.50000000 0.00000000 1.0 N N31 1 0.50000000 0.00000000 0.00000000 1.0