data_[Cs8Tl20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.3035]
_cell_length_b [15.8696]
_cell_length_c [7.7473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2Tl5Au3]
_chemical_formula_sum '[Cs8 Tl20 Au12]'
_cell_volume [1389.7247]
_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  0.2339  0.1205  0.0000  1.0
  Tl  Tl1  8  0.0000  0.2707  0.2500  1.0
  Tl  Tl2  8  0.1145  0.1198  0.5000  1.0
  Tl  Tl3  4  0.0000  0.5000  0.2500  1.0
  Au  Au4  8  0.1254  0.3829  0.0000  1.0
  Au  Au5  4  0.0000  0.0000  0.2500  1.0
]