data_[Cu4Br4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.3809]
_cell_length_b [4.1588]
_cell_length_c [6.7832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuBrN]
_chemical_formula_sum '[Cu4 Br4 N4]'
_cell_volume [292.8403]
_cell_formula_units_Z [4]
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  4  0.4587  0.6799  0.3559  1.0
  Br  Br1  4  0.3224  0.5037  0.6463  1.0
  N  N2  4  0.0205  0.0991  0.4548  1.0
]