data_[B1N1]
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 [P1]
_cell_length_a [2.5080]
_cell_length_b [2.5080]
_cell_length_c [3.2738]
_cell_angle_alpha [101.1070]
_cell_angle_beta [101.1070]
_cell_angle_gamma [119.8074]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BN]
_chemical_formula_sum '[B1 N1]'
_cell_volume [16.4973]
_cell_formula_units_Z [1]
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  0.0222  0.0183  0.0018  1.0
  N  N1  1  0.3165  0.6526  0.9850  1.0
]