data_[Cd8Fe12F38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [9.3512]
_cell_length_b [9.3512]
_cell_length_c [9.3512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Cd4Fe6F19]
_chemical_formula_sum '[Cd8 Fe12 F38]'
_cell_volume [817.7170]
_cell_formula_units_Z [2]
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
[
  Cd  Cd0  8  0.1446  0.1446  0.8554  1
  Fe  Fe1  12  0.0000  0.3381  0.5000  1
  F  F2  24  0.0488  0.3193  0.7108  1
  F  F3  12  0.0000  0.0000  0.3334  1
  F  F4  2  0.0000  0.0000  0.0000  1
]