data_[Cd16Cu16F56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.5132]
_cell_length_b [10.5132]
_cell_length_c [10.5132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Cd2Cu2F7]
_chemical_formula_sum '[Cd16 Cu16 F56]'
_cell_volume [1161.9832]
_cell_formula_units_Z [8]
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  16  0.1250  0.1250  0.1250  1
  Cu  Cu1  16  0.1250  0.1250  0.6250  1
  F  F2  48  0.0000  0.0000  0.2735  1
  F  F3  8  0.0000  0.0000  0.0000  1
]