data_[Cd4B4I4F16]
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
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0615]
_cell_length_b [7.0796]
_cell_length_c [8.4009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdBIF4]
_chemical_formula_sum '[Cd4 B4 I4 F16]'
_cell_volume [599.7685]
_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  0.1441  0.0000  0.2181  1.0
  B  B1  4  0.1201  0.5000  0.3141  1.0
  I  I2  4  0.1142  0.0000  0.8635  1.0
  F  F3  8  0.1821  0.3373  0.2949  1.0
  F  F4  4  0.0146  0.5000  0.8110  1.0
  F  F5  4  0.1524  0.5000  0.5092  1.0
]