data_[Cu4Ag20I32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [12.3158]
_cell_length_b [12.3158]
_cell_length_c [12.3158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [CuAg5I8]
_chemical_formula_sum '[Cu4 Ag20 I32]'
_cell_volume [1868.0382]
_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
[
  Cu  Cu0  4  0.2500  0.2500  0.7500  1.0
  Ag  Ag1  16  0.1239  0.1239  0.3761  1.0
  Ag  Ag2  4  0.0000  0.0000  0.0000  1.0
  I  I3  16  0.1250  0.1250  0.6250  1.0
  I  I4  16  0.1317  0.1317  0.1317  1.0
]