data_[H2Br4O2]
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 [4.5102]
_cell_length_b [5.6371]
_cell_length_c [9.5658]
_cell_angle_alpha [76.8686]
_cell_angle_beta [86.5954]
_cell_angle_gamma [68.2033]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HBr2O]
_chemical_formula_sum '[H2 Br4 O2]'
_cell_volume [219.8315]
_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  0.0494  0.2271  0.1576  1.0
  H  H1  1  0.4055  0.2352  0.1475  1.0
  Br  Br2  1  0.0489  0.3481  0.6331  1.0
  Br  Br3  1  0.4762  0.7423  0.1315  1.0
  Br  Br4  1  0.7510  0.5475  0.4063  1.0
  Br  Br5  1  0.7679  0.4097  0.8811  1.0
  O  O6  1  0.2743  0.1311  0.1960  1.0
  O  O7  1  0.6564  0.3961  0.0871  1.0
]