data_[Br8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.0901]
_cell_length_b [7.9647]
_cell_length_c [8.0398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [BrN]
_chemical_formula_sum '[Br8 N8]'
_cell_volume [454.0120]
_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
[
  Br  Br0  4  0.0458  0.2447  0.2735  1
  Br  Br1  4  0.0609  0.6114  0.8670  1
  N  N2  4  0.0758  0.5807  0.0995  1
  N  N3  4  0.1883  0.7933  0.7731  1
]