data_[Cd2Ag2I6]
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 [Pnc2]
_cell_length_a [19.0682]
_cell_length_b [4.5517]
_cell_length_c [15.7593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [CdAgI3]
_chemical_formula_sum '[Cd2 Ag2 I6]'
_cell_volume [1367.7883]
_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  0.5000  0.0000  0.6010  1
  Ag  Ag1  2  0.5000  0.0000  0.9825  1
  I  I2  4  0.3933  0.0949  0.1240  1
  I  I3  2  0.5000  0.0000  0.3853  1
]