data_[H16Cl12O8]
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/c]
_cell_length_a [17.4173]
_cell_length_b [8.3229]
_cell_length_c [4.4515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [H4Cl3O2]
_chemical_formula_sum '[H16 Cl12 O8]'
_cell_volume [643.5751]
_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  8  0.2111  0.1616  0.6877  1
  H  H1  8  0.2445  0.4785  0.1366  1
  Cl  Cl2  8  0.1095  0.2635  0.0160  1
  Cl  Cl3  4  0.0000  0.3093  0.7500  1
  O  O4  8  0.2447  0.4103  0.3235  1
]