data_[Cl2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.3124]
_cell_length_b [4.7536]
_cell_length_c [11.0756]
_cell_angle_alpha [89.7392]
_cell_angle_beta [87.7935]
_cell_angle_gamma [89.8169]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ClO2]
_chemical_formula_sum '[Cl2 O4]'
_cell_volume [121.6541]
_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
[
  Cl  Cl0  2  0.4493  0.2440  0.6345  1
  O  O1  2  0.2351  0.0882  0.0781  1
  O  O2  2  0.2746  0.4119  0.9216  1
]