data_[Tl6Ge4Au18]
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 [Immm]
_cell_length_a [4.0221]
_cell_length_b [11.1417]
_cell_length_c [13.2614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tl3Ge2Au9]
_chemical_formula_sum '[Tl6 Ge4 Au18]'
_cell_volume [594.2822]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.2796  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0000  0.1782  0.5000  1
  Au  Au3  8  0.0000  0.3096  0.1555  1
  Au  Au4  8  0.0000  0.3695  0.3694  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]