data_[C8I8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.8798]
_cell_length_b [5.8939]
_cell_length_c [19.9718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [CIF3]
_chemical_formula_sum '[C8 I8 F24]'
_cell_volume [927.5353]
_cell_formula_units_Z [8]
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  8  0.0000  0.1871  0.5959  1
  I  I1  8  0.0000  0.1077  0.1865  1
  F  F2  16  0.1390  0.2315  0.5586  1
  F  F3  8  0.0000  0.0365  0.3885  1
]