data_[Cd4In8F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [8.3792]
_cell_length_b [12.1111]
_cell_length_c [5.9198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [CdIn2F5]
_chemical_formula_sum '[Cd4 In8 F20]'
_cell_volume [600.7501]
_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
[
  Cd  Cd0  4  0.0000  0.0710  0.2500  1
  In  In1  8  0.1147  0.3525  0.9465  1
  F  F2  8  0.1583  0.0573  0.5596  1
  F  F3  8  0.1743  0.2096  0.1679  1
  F  F4  4  0.0000  0.4303  0.2500  1
]