data_[B2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3198]
_cell_length_b [8.0463]
_cell_length_c [18.2115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [102.0919]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BCl3]
_chemical_formula_sum '[B2 Cl6]'
_cell_volume [905.5215]
_cell_formula_units_Z [2]
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  0.5128  0.1898  0.4950  1
  B  B1  1  0.9967  0.6915  0.5050  1
  Cl  Cl2  1  0.2704  0.6833  0.5050  1
  Cl  Cl3  1  0.3751  0.1971  0.5776  1
  Cl  Cl4  1  0.3754  0.1853  0.4117  1
  Cl  Cl5  1  0.7883  0.1875  0.4957  1
  Cl  Cl6  1  0.8595  0.6947  0.4221  1
  Cl  Cl7  1  0.8605  0.6969  0.5880  1
]