data_[Cs4Au8I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5193]
_cell_length_b [9.1382]
_cell_length_c [13.4210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs(AuI2)2]
_chemical_formula_sum '[Cs4 Au8 I16]'
_cell_volume [1529.8772]
_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
[
  Cs  Cs0  4  0.0000  0.2531  0.7500  1.0
  Au  Au1  4  0.0000  0.5000  0.0000  1.0
  Au  Au2  4  0.2500  0.2500  0.5000  1.0
  I  I3  8  0.0465  0.2366  0.4692  1.0
  I  I4  8  0.2484  0.0542  0.9982  1.0
]