data_[Tl8Ge8Au24]
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 [13.0952]
_cell_length_b [9.6924]
_cell_length_c [7.1823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlGeAu3]
_chemical_formula_sum '[Tl8 Ge8 Au24]'
_cell_volume [878.1331]
_cell_formula_units_Z [8]
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  0.0012  0.7500  1.0
  Tl  Tl1  4  0.0000  0.3354  0.7500  1.0
  Ge  Ge2  8  0.1014  0.3354  0.3460  1.0
  Au  Au3  8  0.1642  0.1217  0.5676  1.0
  Au  Au4  8  0.1775  0.4602  0.0774  1.0
  Au  Au5  8  0.2080  0.1721  0.1577  1.0
]