data_BN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.35
_cell_angle_alpha   95.18
_cell_angle_beta   95.18
_cell_angle_gamma   141.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BN
_chemical_formula_sum   'B4 N4'
_cell_volume   64.83
_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
  B  B0  1  0.64  0.62  0.0  1.0
  B  B1  1  0.05  0.38  0.09  1.0
  B  B2  1  0.63  0.83  0.06  1.0
  B  B3  1  0.04  0.17  0.15  1.0
  N  N4  1  0.91  0.85  0.52  1.0
  N  N5  1  0.51  0.15  0.43  1.0
  N  N6  1  0.08  0.62  0.34  1.0
  N  N7  1  0.49  0.38  0.43  1.0

data_BN
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.35
_cell_length_c   4.99
_cell_angle_alpha   84.82
_cell_angle_beta   70.78
_cell_angle_gamma   74.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BN
_chemical_formula_sum   'B4 N4'
_cell_volume   64.83
_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
  B  B0  1  0.17  0.06  0.19  1.0
  B  B1  1  0.38  0.0  0.98  1.0
  B  B2  1  0.62  0.09  0.33  1.0
  B  B3  1  0.83  0.15  0.14  1.0
  N  N4  1  0.15  0.52  0.94  1.0
  N  N5  1  0.38  0.34  0.54  1.0
  N  N6  1  0.62  0.43  0.89  1.0
  N  N7  1  0.85  0.43  0.64  1.0

B B B B N N N N
B B B B N N N N 0 2 o o o 1 3 o o o 1 6 o o o 2 3 + + o 4 7 o o o 5 7 o o o 5 6 o - o 