data_[H8Br2O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6610]
_cell_length_b [5.7599]
_cell_length_c [6.9356]
_cell_angle_alpha [66.1499]
_cell_angle_beta [67.2524]
_cell_angle_gamma [83.9016]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H4BrO2]
_chemical_formula_sum '[H8 Br2 O4]'
_cell_volume [190.4130]
_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  0.0970  0.4569  0.3665  1.0
  H  H1  1  0.3332  0.4327  0.1584  1.0
  H  H2  1  0.3540  0.8753  0.4292  1.0
  H  H3  1  0.4060  0.7054  0.2881  1.0
  H  H4  1  0.5022  0.1122  0.0666  1.0
  H  H5  1  0.5850  0.3343  0.8074  1.0
  H  H6  1  0.6763  0.6154  0.4279  1.0
  H  H7  1  0.6787  0.3263  0.4821  1.0
  Br  Br8  1  0.1874  0.0494  0.8757  1.0
  Br  Br9  1  0.9559  0.8159  0.7797  1.0
  O  O10  1  0.2868  0.4606  0.2994  1.0
  O  O11  1  0.4465  0.2668  0.9622  1.0
  O  O12  1  0.4890  0.8430  0.3035  1.0
  O  O13  1  0.7523  0.4558  0.5034  1.0
]