data_[H4Br2]
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 [P1]
_cell_length_a [4.4919]
_cell_length_b [5.4208]
_cell_length_c [6.8357]
_cell_angle_alpha [112.1997]
_cell_angle_beta [95.7361]
_cell_angle_gamma [90.0042]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H2Br]
_chemical_formula_sum '[H4 Br2]'
_cell_volume [153.2081]
_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
[
  H  H0  1  0.0264  0.9709  0.1829  1.0
  H  H1  1  0.6417  0.4671  0.6022  1.0
  H  H2  1  0.7017  0.5697  0.5653  1.0
  H  H3  1  0.9554  0.4325  0.1028  1.0
  Br  Br4  1  0.1753  0.8399  0.3173  1.0
  Br  Br5  1  0.8081  0.1731  0.9676  1.0
]