data_[Cd6Pd2Br4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2873]
_cell_length_b [6.8660]
_cell_length_c [5.5047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3Pd(BrF3)2]
_chemical_formula_sum '[Cd6 Pd2 Br4 F12]'
_cell_volume [460.0431]
_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  4  0.2500  0.2500  0.5000  1
  Cd  Cd1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.1962  0.5000  0.8429  1
  F  F4  8  0.0705  0.2517  0.2902  1
  F  F5  4  0.1691  0.0000  0.6705  1
]