data_[Cl4O2F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2085]
_cell_length_b [6.5476]
_cell_length_c [8.2871]
_cell_angle_alpha [79.1033]
_cell_angle_beta [88.9482]
_cell_angle_gamma [89.9428]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cl2OF]
_chemical_formula_sum '[Cl4 O2 F2]'
_cell_volume [170.9259]
_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  0.2402  0.9365  0.7348  1
  Cl  Cl1  2  0.2403  0.4843  0.7442  1
  O  O2  2  0.2348  0.6804  0.8493  1
  F  F3  2  0.2465  0.2244  0.6173  1
]