data_[Cl2F13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0289]
_cell_length_b [6.3050]
_cell_length_c [7.7321]
_cell_angle_alpha [67.2692]
_cell_angle_beta [82.3887]
_cell_angle_gamma [79.3731]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cl2F13]
_chemical_formula_sum '[Cl2 F13]'
_cell_volume [221.7392]
_cell_formula_units_Z [1]
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  0.1831  0.1253  0.7273  1.0
  F  F1  2  0.1172  0.7198  0.3642  1.0
  F  F2  2  0.1199  0.8905  0.6867  1.0
  F  F3  2  0.2535  0.3648  0.7565  1.0
  F  F4  2  0.3280  0.2205  0.5144  1.0
  F  F5  2  0.3716  0.5094  0.0495  1.0
  F  F6  2  0.4910  0.9775  0.8055  1.0
  F  F7  1  0.0000  0.0000  0.0000  1.0
]