data_[Cs12Rb8Au16]
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 [Cmce]
_cell_length_a [10.0281]
_cell_length_b [17.7725]
_cell_length_c [9.9570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Cs3Rb2Au4]
_chemical_formula_sum '[Cs12 Rb8 Au16]'
_cell_volume [1774.5738]
_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  0.2500  0.2025  0.2500  1.0
  Cs  Cs1  4  0.0000  0.0000  0.0000  1.0
  Rb  Rb2  8  0.0000  0.1032  0.6034  1.0
  Au  Au3  8  0.0000  0.2131  0.9661  1.0
  Au  Au4  8  0.2500  0.0036  0.2500  1.0
]