data_[Cd2H4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8959]
_cell_length_b [3.3584]
_cell_length_c [7.7961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdH2F6]
_chemical_formula_sum '[Cd2 H4 F12]'
_cell_volume [235.3515]
_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  2  0.0000  0.0000  0.5000  1.0
  H  H1  4  0.1837  0.0000  0.3022  1.0
  F  F2  4  0.0721  0.0000  0.2535  1.0
  F  F3  4  0.1629  0.5000  0.6148  1.0
  F  F4  4  0.2359  0.5000  0.0172  1.0
]