data_[Cs4Rb8Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [6.3988]
_cell_length_b [6.3988]
_cell_length_c [24.9077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Cs4Rb8Au3]
_chemical_formula_sum '[Cs4 Rb8 Au3]'
_cell_volume [1019.8523]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.0830  1
  Cs  Cs1  2  0.0000  0.5000  0.5813  1
  Rb  Rb2  2  0.0000  0.0000  0.2521  1
  Rb  Rb3  2  0.0000  0.5000  0.4223  1
  Rb  Rb4  2  0.0000  0.5000  0.9153  1
  Rb  Rb5  2  0.5000  0.5000  0.2525  1
  Au  Au6  1  0.0000  0.0000  0.0000  1
  Au  Au7  1  0.0000  0.0000  0.5000  1
  Au  Au8  1  0.5000  0.5000  0.5000  1
]