data_[B4H8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.8062]
_cell_length_b [9.4288]
_cell_length_c [4.5200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [BH2Cl]
_chemical_formula_sum '[B4 H8 Cl4]'
_cell_volume [247.4506]
_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  4  0.1836  0.4663  0.3751  1
  H  H1  4  0.1778  0.0277  0.7267  1
  H  H2  4  0.2418  0.3681  0.5253  1
  Cl  Cl3  4  0.0525  0.6106  0.6227  1
]