data_[Tl4Au24]
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 [Pnma]
_cell_length_a [9.4118]
_cell_length_b [5.7901]
_cell_length_c [10.6000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlAu6]
_chemical_formula_sum '[Tl4 Au24]'
_cell_volume [577.6501]
_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  4  0.2249  0.7500  0.0583  1
  Au  Au1  8  0.0532  0.5043  0.3023  1
  Au  Au2  4  0.0693  0.2500  0.0669  1
  Au  Au3  4  0.1277  0.7500  0.5246  1
  Au  Au4  4  0.1742  0.2500  0.8192  1
  Au  Au5  4  0.1884  0.7500  0.7859  1
]