data_[Tl12Ge8Au16]
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 [C2/c]
_cell_length_a [13.5208]
_cell_length_b [9.7841]
_cell_length_c [6.4393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(GeAu2)2]
_chemical_formula_sum '[Tl12 Ge8 Au16]'
_cell_volume [850.8547]
_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  0.0963  0.0999  0.8986  1
  Tl  Tl1  4  0.0000  0.4998  0.7500  1
  Ge  Ge2  8  0.2153  0.3704  0.5999  1
  Au  Au3  8  0.0966  0.2176  0.3532  1
  Au  Au4  8  0.1830  0.3723  0.9941  1
]