data_[Cs8Tl36Au12]
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 [C2/c]
_cell_length_a [16.6226]
_cell_length_b [9.1014]
_cell_length_c [12.8369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2(Tl3Au)3]
_chemical_formula_sum '[Cs8 Tl36 Au12]'
_cell_volume [1739.1080]
_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  0.1749  0.4185  0.7432  1
  Tl  Tl1  8  0.0593  0.4275  0.4170  1
  Tl  Tl2  8  0.0940  0.0900  0.5337  1
  Tl  Tl3  8  0.0980  0.1760  0.2409  1
  Tl  Tl4  8  0.2233  0.0810  0.9338  1
  Tl  Tl5  4  0.0000  0.1445  0.7500  1
  Au  Au6  8  0.0917  0.2588  0.0058  1
  Au  Au7  4  0.2500  0.2500  0.5000  1
]