data_[Cd2B4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7717]
_cell_length_b [5.5257]
_cell_length_c [5.3867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdB2F8]
_chemical_formula_sum '[Cd2 B4 F16]'
_cell_volume [278.4507]
_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  0.0000  1.0
  B  B1  4  0.1985  0.0000  0.6833  1.0
  F  F2  8  0.1331  0.2046  0.7683  1.0
  F  F3  4  0.1546  0.5000  0.2128  1.0
  F  F4  4  0.1622  0.0000  0.4066  1.0
]