data_[Cs20Rb4Au12]
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 [C2/m]
_cell_length_a [16.3759]
_cell_length_b [12.2781]
_cell_length_c [13.5489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5RbAu3]
_chemical_formula_sum '[Cs20 Rb4 Au12]'
_cell_volume [2417.5658]
_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  0.1685  0.2031  0.6624  1.0
  Cs  Cs1  4  0.0000  0.2928  0.0000  1.0
  Cs  Cs2  4  0.0641  0.5000  0.3630  1.0
  Cs  Cs3  4  0.2311  0.0000  0.0307  1.0
  Rb  Rb4  4  0.0941  0.0000  0.2993  1.0
  Au  Au5  4  0.1651  0.5000  0.1654  1.0
  Au  Au6  4  0.1721  0.5000  0.6663  1.0
  Au  Au7  2  0.0000  0.0000  0.0000  1.0
  Au  Au8  2  0.0000  0.0000  0.5000  1.0
]