data_[Tl20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7488]
_cell_length_b [6.8756]
_cell_length_c [7.5035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl5Au2]
_chemical_formula_sum '[Tl20 Au8]'
_cell_volume [807.4781]
_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  0.0959  0.1373  0.4523  1.0
  Tl  Tl1  8  0.2184  0.4037  0.7916  1.0
  Tl  Tl2  4  0.0000  0.4194  0.7500  1.0
  Au  Au3  8  0.1054  0.2720  0.0757  1.0
]