data_[H8Cl8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3455]
_cell_length_b [7.2285]
_cell_length_c [6.5264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H2Cl2O]
_chemical_formula_sum '[H8 Cl8 O4]'
_cell_volume [439.3575]
_cell_formula_units_Z [4]
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  0.0140  0.5000  0.1961  1.0
  H  H1  4  0.1676  0.5000  0.3177  1.0
  Cl  Cl2  4  0.1483  0.0000  0.3960  1.0
  Cl  Cl3  4  0.2472  0.5000  0.8645  1.0
  O  O4  4  0.1170  0.5000  0.1809  1.0
]