data_[Ba4Cd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9152]
_cell_length_b [7.1664]
_cell_length_c [9.7112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2CdF6]
_chemical_formula_sum '[Ba4 Cd2 F12]'
_cell_volume [350.4896]
_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
[
  Ba  Ba0  4  0.2189  0.1011  0.7616  1.0
  Cd  Cd1  2  0.5000  0.0000  0.5000  1.0
  F  F2  4  0.1262  0.1472  0.4460  1.0
  F  F3  4  0.3007  0.7128  0.4343  1.0
  F  F4  4  0.3812  0.0566  0.2466  1.0
]