data_[B8H24Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.7308]
_cell_length_b [13.2315]
_cell_length_c [6.2897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [B2H6Br]
_chemical_formula_sum '[B8 H24 Br4]'
_cell_volume [516.0217]
_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  8  0.1770  0.1795  0.2014  1
  H  H1  8  0.0510  0.2437  0.0434  1
  H  H2  8  0.2101  0.3691  0.8312  1
  H  H3  8  0.2355  0.2657  0.5878  1
  Br  Br4  4  0.0000  0.0812  0.2500  1
]