data_[Cd2Ag6I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.7789]
_cell_length_b [6.7789]
_cell_length_c [13.5368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [CdAg3I4]
_chemical_formula_sum '[Cd2 Ag6 I8]'
_cell_volume [622.0651]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.5000  0.2500  1
  Ag  Ag2  2  0.0000  0.0000  0.5000  1
  I  I3  8  0.2338  0.2338  0.3677  1
]