data_[H2I2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.9195]
_cell_length_b [5.6086]
_cell_length_c [9.2753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [HIBr]
_chemical_formula_sum '[H2 I2 Br2]'
_cell_volume [250.4130]
_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  2  0.4684  0.9084  0.5223  1
  I  I1  2  0.0661  0.7077  0.0391  1
  Br  Br2  2  0.3476  0.7150  0.5956  1
]