data_[Cl4F12]
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 [Cmc2_1]
_cell_length_a [5.5025]
_cell_length_b [7.4097]
_cell_length_c [6.4608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ClF3]
_chemical_formula_sum '[Cl4 F12]'
_cell_volume [263.4190]
_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
[
  Cl  Cl0  4  0.0000  0.1645  0.7574  1.0
  F  F1  4  0.0000  0.0499  0.3932  1.0
  F  F2  4  0.0000  0.2652  0.9831  1.0
  F  F3  4  0.0000  0.3726  0.6364  1.0
]