# generated using pymatgen data_Cu10N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42340791 _cell_length_b 5.42340791 _cell_length_c 6.61318100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999891 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu10N3 _chemical_formula_sum 'Cu10 N3' _cell_volume 168.45565174 _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 Cu Cu0 1 0.83656600 0.67313300 0.17087200 1.0 Cu Cu1 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu2 1 0.16343400 0.32686700 0.82912800 1.0 Cu Cu3 1 0.83656600 0.16343400 0.17087200 1.0 Cu Cu4 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu5 1 0.16343400 0.83656600 0.82912800 1.0 Cu Cu6 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu7 1 0.67313300 0.83656600 0.82912800 1.0 Cu Cu8 1 0.32686700 0.16343400 0.17087200 1.0 Cu Cu9 1 0.00000000 0.00000000 0.50000000 1.0 N N10 1 0.66666700 0.33333300 0.32635300 1.0 N N11 1 0.33333300 0.66666700 0.67364700 1.0 N N12 1 0.00000000 0.00000000 0.00000000 1.0