data_[B8N16Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.9449]
_cell_length_b [8.6360]
_cell_length_c [5.3901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [BN2Cl]
_chemical_formula_sum '[B8 N16 Cl8]'
_cell_volume [602.5641]
_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  8  0.0000  0.2046  0.5471  1
  N  N1  8  0.0000  0.0779  0.7224  1
  N  N2  8  0.0000  0.2300  0.8058  1
  Cl  Cl3  8  0.1669  0.0000  0.5000  1
]