data_[Cs6Cd16Au6]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0534]
_cell_length_b [13.0381]
_cell_length_c [14.1293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs3Cd8Au3]
_chemical_formula_sum '[Cs6 Cd16 Au6]'
_cell_volume [930.9312]
_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  0.0000  0.0000  0.1793  1.0
  Cs  Cs1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  8  0.0000  0.2939  0.4000  1.0
  Cd  Cd3  8  0.0000  0.2971  0.1944  1.0
  Au  Au4  4  0.0000  0.2585  0.0000  1.0
  Au  Au5  2  0.0000  0.5000  0.5000  1.0
]