data_[H4Br2Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4709]
_cell_length_b [7.0208]
_cell_length_c [8.4837]
_cell_angle_alpha [84.7612]
_cell_angle_beta [76.1320]
_cell_angle_gamma [71.7875]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H2BrCl2]
_chemical_formula_sum '[H4 Br2 Cl4]'
_cell_volume [300.4656]
_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  0.3293  0.7973  0.5389  1.0
  H  H1  2  0.4900  0.0181  0.7218  1.0
  Br  Br2  2  0.1684  0.4026  0.0620  1.0
  Cl  Cl3  2  0.3134  0.7611  0.3938  1.0
  Cl  Cl4  2  0.3703  0.8826  0.7815  1.0
]