data_[Cs12Cd4Au4]
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 [9.9667]
_cell_length_b [11.7275]
_cell_length_c [10.2968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3CdAu]
_chemical_formula_sum '[Cs12 Cd4 Au4]'
_cell_volume [1198.8493]
_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  8  0.1013  0.1936  0.3253  1.0
  Cs  Cs1  4  0.2213  0.5000  0.0604  1.0
  Cd  Cd2  4  0.0636  0.5000  0.6466  1.0
  Au  Au3  4  0.2273  0.5000  0.4195  1.0
]