data_[Cl4O2]
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 [P1]
_cell_length_a [4.4537]
_cell_length_b [5.1887]
_cell_length_c [21.7488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [98.8665]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cl2O]
_chemical_formula_sum '[Cl4 O2]'
_cell_volume [496.5793]
_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  1  0.0994  0.8800  0.5647  1
  Cl  Cl1  1  0.7258  0.7500  0.3209  1
  Cl  Cl2  1  0.7861  0.6169  0.4059  1
  Cl  Cl3  1  0.8981  0.4536  0.5387  1
  O  O4  1  0.0880  0.8818  0.6312  1
  O  O5  1  0.4024  0.9177  0.5385  1
]