data_[Cr16Cd4Ag4Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.8232]
_cell_length_b [10.8232]
_cell_length_c [10.8232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Cr4CdAgSe8]
_chemical_formula_sum '[Cr16 Cd4 Ag4 Se32]'
_cell_volume [1267.8532]
_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
[
  Cr  Cr0  16  0.1234  0.1234  0.8766  1.0
  Cd  Cd1  4  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.2500  0.2500  0.2500  1.0
  Se  Se3  16  0.1106  0.1106  0.1106  1.0
  Se  Se4  16  0.1407  0.1407  0.6407  1.0
]