data_[Cs4Cd2Au2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5652]
_cell_length_b [8.0820]
_cell_length_c [8.9543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2CdAuI6]
_chemical_formula_sum '[Cs4 Cd2 Au2 I12]'
_cell_volume [917.2686]
_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
[
  Cs  Cs0  4  0.2326  0.0000  0.2208  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  2  0.0000  0.5000  0.0000  1.0
  I  I3  8  0.0328  0.2558  0.8137  1.0
  I  I4  4  0.2180  0.0000  0.6477  1.0
]