data_[Tl8Ge12Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.9560]
_cell_length_b [12.3773]
_cell_length_c [6.5986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tl2Ge3Au5]
_chemical_formula_sum '[Tl8 Ge12 Au20]'
_cell_volume [894.8188]
_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
[
  Tl  Tl0  8  0.2377  0.3646  0.0000  1
  Ge  Ge1  8  0.1108  0.3659  0.5000  1
  Ge  Ge2  4  0.0000  0.0000  0.2500  1
  Au  Au3  8  0.0000  0.2333  0.2500  1
  Au  Au4  8  0.1580  0.0994  0.0000  1
  Au  Au5  4  0.0000  0.5000  0.2500  1
]