data_[Tl16Ga8Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.9498]
_cell_length_b [21.7200]
_cell_length_c [5.4472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tl4Ga2Au5]
_chemical_formula_sum '[Tl16 Ga8 Au20]'
_cell_volume [1058.8839]
_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  0.0945  0.1286  0.0000  1
  Tl  Tl1  8  0.2004  0.4577  0.0000  1
  Ga  Ga2  8  0.0000  0.2941  0.2500  1
  Au  Au3  8  0.0881  0.3977  0.5000  1
  Au  Au4  8  0.2367  0.2538  0.0000  1
  Au  Au5  4  0.0000  0.0000  0.2500  1
]