data_[H6Br2O2F1]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1937]
_cell_length_b [5.6132]
_cell_length_c [5.9084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [H6Br2O2F]
_chemical_formula_sum '[H6 Br2 O2 F1]'
_cell_volume [131.9612]
_cell_formula_units_Z [1]
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  4  0.4559  0.3580  0.2435  1.0
  H  H1  2  0.1627  0.5000  0.3463  1.0
  Br  Br2  2  0.2716  0.0000  0.7521  1.0
  O  O3  2  0.3095  0.5000  0.2224  1.0
  F  F4  1  0.0000  0.5000  0.5000  1.0
]