data_[Cs12Cd4Au12]
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 [C2/m]
_cell_length_a [9.4561]
_cell_length_b [13.4243]
_cell_length_c [9.4515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3CdAu3]
_chemical_formula_sum '[Cs12 Cd4 Au12]'
_cell_volume [1184.0801]
_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  0.1898  0.5000  1.0
  Cs  Cs1  4  0.0000  0.2441  0.0000  1.0
  Cs  Cs2  4  0.1364  0.5000  0.3412  1.0
  Cd  Cd3  4  0.2391  0.0000  0.0218  1.0
  Au  Au4  8  0.2209  0.3850  0.7158  1.0
  Au  Au5  4  0.0085  0.0000  0.2065  1.0
]