data_[B2H4Cl16]
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 [C2]
_cell_length_a [12.5035]
_cell_length_b [8.8304]
_cell_length_c [6.1900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [B(HCl4)2]
_chemical_formula_sum '[B2 H4 Cl16]'
_cell_volume [681.9070]
_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  2  0.0000  0.4986  0.0000  1
  H  H1  4  0.2131  0.5148  0.3603  1
  Cl  Cl2  4  0.0524  0.0180  0.8843  1
  Cl  Cl3  4  0.0685  0.6199  0.2103  1
  Cl  Cl4  4  0.0986  0.3731  0.8770  1
  Cl  Cl5  4  0.1959  0.9748  0.5364  1
]