data_[Cd8Se4O12F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7439]
_cell_length_b [10.5122]
_cell_length_c [5.6841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cd2SeO3F2]
_chemical_formula_sum '[Cd8 Se4 O12 F8]'
_cell_volume [462.7232]
_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  8  0.0941  0.5734  0.2537  1
  Se  Se1  4  0.1719  0.2500  0.1684  1
  O  O2  8  0.0438  0.1243  0.0828  1
  O  O3  4  0.1716  0.7500  0.4446  1
  F  F4  8  0.1595  0.0639  0.5524  1
]