data_[B8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [3.2870]
_cell_length_b [9.4288]
_cell_length_c [4.3478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [BN]
_chemical_formula_sum '[B8 N8]'
_cell_volume [129.5748]
_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
[
  B  B0  4  0.0004  0.4340  0.5002  1
  B  B1  4  0.3706  0.1936  0.4918  1
  N  N2  4  0.0820  0.3037  0.3408  1
  N  N3  4  0.4458  0.0659  0.3211  1
]