data_[Tl24Au16]
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 [Fdd2]
_cell_length_a [13.8011]
_cell_length_b [20.0879]
_cell_length_c [3.8663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Tl3Au2]
_chemical_formula_sum '[Tl24 Au16]'
_cell_volume [1071.8789]
_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  16  0.1172  0.1397  0.8369  1.0
  Tl  Tl1  8  0.0000  0.0000  0.0944  1.0
  Au  Au2  16  0.0556  0.2870  0.6159  1.0
]