data_[Ti4Cd4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1131]
_cell_length_b [6.6851]
_cell_length_c [7.7168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TiCdF5]
_chemical_formula_sum '[Ti4 Cd4 F20]'
_cell_volume [427.2829]
_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
[
  Ti  Ti0  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.0000  0.4613  0.2500  1.0
  F  F2  8  0.0128  0.2999  0.9723  1.0
  F  F3  8  0.2293  0.0201  0.6188  1.0
  F  F4  4  0.0000  0.0951  0.2500  1.0
]