# generated using pymatgen data_CuBr4(NO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19153900 _cell_length_b 9.19153900 _cell_length_c 6.16004500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBr4(NO)2 _chemical_formula_sum 'Cu2 Br8 N4 O4' _cell_volume 520.42763920 _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 Cu Cu0 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu1 1 0.50000000 0.50000000 0.50000000 1.0 Br Br2 1 0.18088800 0.18088800 0.00000000 1.0 Br Br3 1 0.81911200 0.81911200 0.00000000 1.0 Br Br4 1 0.68088800 0.31911200 0.50000000 1.0 Br Br5 1 0.31911200 0.68088800 0.50000000 1.0 Br Br6 1 0.63049800 0.36950200 0.00000000 1.0 Br Br7 1 0.36950200 0.63049800 0.00000000 1.0 Br Br8 1 0.86950200 0.86950200 0.50000000 1.0 Br Br9 1 0.13049800 0.13049800 0.50000000 1.0 N N10 1 0.50000000 0.00000000 0.25000000 1.0 N N11 1 0.50000000 0.00000000 0.75000000 1.0 N N12 1 0.00000000 0.50000000 0.25000000 1.0 N N13 1 0.00000000 0.50000000 0.75000000 1.0 O O14 1 0.00000000 0.00000000 0.30139700 1.0 O O15 1 0.00000000 0.00000000 0.69860300 1.0 O O16 1 0.50000000 0.50000000 0.80139700 1.0 O O17 1 0.50000000 0.50000000 0.19860300 1.0