data_[H8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.0460]
_cell_length_b [4.6650]
_cell_length_c [5.3917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [H2Br]
_chemical_formula_sum '[H8 Br4]'
_cell_volume [327.4080]
_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
[
  H  H0  2  0.0740  0.5000  0.6973  1.0
  H  H1  2  0.0959  0.5000  0.8477  1.0
  H  H2  2  0.3603  0.5000  0.3821  1.0
  H  H3  2  0.4026  0.5000  0.9231  1.0
  Br  Br4  2  0.2813  0.5000  0.5004  1.0
  Br  Br5  2  0.4816  0.5000  0.1962  1.0
]