data_[H16Cl4O4]
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 [7.1651]
_cell_length_b [8.8818]
_cell_length_c [4.6019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H4ClO]
_chemical_formula_sum '[H16 Cl4 O4]'
_cell_volume [289.4304]
_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  0.0677  0.2368  0.9982  1
  H  H1  8  0.2487  0.3585  0.1434  1
  Cl  Cl2  4  0.2411  0.5000  0.3567  1
  O  O3  4  0.2500  0.2500  0.0000  1
]