data_[Cd2H4F6]
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 [P2_1/m]
_cell_length_a [6.9953]
_cell_length_b [3.3494]
_cell_length_c [7.2018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdH2F3]
_chemical_formula_sum '[Cd2 H4 F6]'
_cell_volume [151.6543]
_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  0.1724  0.7500  0.1341  1.0
  H  H1  2  0.0575  0.7500  0.6640  1.0
  H  H2  2  0.4120  0.7500  0.7727  1.0
  F  F3  2  0.0991  0.2500  0.4031  1.0
  F  F4  2  0.2804  0.7500  0.8149  1.0
  F  F5  2  0.4354  0.2500  0.2665  1.0
]