data_[Cs12Zn8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9060]
_cell_length_b [13.7065]
_cell_length_c [16.9638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs3Zn2Au3]
_chemical_formula_sum '[Cs12 Zn8 Au12]'
_cell_volume [1140.7154]
_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  0.0000  0.0762  0.6044  1.0
  Cs  Cs1  4  0.0000  0.3877  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2187  0.0996  1.0
  Au  Au3  8  0.0000  0.3153  0.5445  1.0
  Au  Au4  4  0.0000  0.2901  0.2500  1.0
]