data_[H8Cl2O4]
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 [P1]
_cell_length_a [4.6440]
_cell_length_b [6.2856]
_cell_length_c [6.4391]
_cell_angle_alpha [106.3569]
_cell_angle_beta [100.0091]
_cell_angle_gamma [99.1937]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H4ClO2]
_chemical_formula_sum '[H8 Cl2 O4]'
_cell_volume [173.2232]
_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  1  0.0096  0.7599  0.3988  1.0
  H  H1  1  0.1093  0.5332  0.6286  1.0
  H  H2  1  0.2418  0.4808  0.9881  1.0
  H  H3  1  0.3005  0.5712  0.2563  1.0
  H  H4  1  0.3212  0.8850  0.5620  1.0
  H  H5  1  0.3624  0.2562  0.6794  1.0
  H  H6  1  0.5871  0.1852  0.8453  1.0
  H  H7  1  0.8826  0.3319  0.6667  1.0
  Cl  Cl8  1  0.0349  0.1282  0.1146  1.0
  Cl  Cl9  1  0.7386  0.8372  0.1071  1.0
  O  O10  1  0.0942  0.4152  0.7038  1.0
  O  O11  1  0.1876  0.7307  0.4838  1.0
  O  O12  1  0.3577  0.4684  0.1284  1.0
  O  O13  1  0.5225  0.1668  0.6871  1.0
]