data_[H10Br4O2]
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 [I4mm]
_cell_length_a [5.4155]
_cell_length_b [5.4155]
_cell_length_c [8.3290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [H5Br2O]
_chemical_formula_sum '[H10 Br4 O2]'
_cell_volume [244.2708]
_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  8  0.1826  0.1826  0.9526  1
  H  H1  2  0.0000  0.0000  0.1149  1
  Br  Br2  4  0.0000  0.5000  0.4008  1
  O  O3  2  0.0000  0.0000  0.9961  1
]