data_[C4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7225]
_cell_length_b [4.4709]
_cell_length_c [8.7036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CF4]
_chemical_formula_sum '[C4 F16]'
_cell_volume [294.4944]
_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
[
  C  C0  4  0.0000  0.4261  0.7500  1.0
  F  F1  8  0.0333  0.2524  0.8893  1.0
  F  F2  8  0.1411  0.4005  0.2914  1.0
]