data_[Tl8Pb24Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5974]
_cell_length_b [13.4034]
_cell_length_c [6.4437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl2Pb6Au]
_chemical_formula_sum '[Tl8 Pb24 Au4]'
_cell_volume [1108.0375]
_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  0.1317  0.4503  0.5124  1
  Pb  Pb1  8  0.0722  0.2989  0.0158  1
  Pb  Pb2  8  0.1342  0.0447  0.0155  1
  Pb  Pb3  8  0.1775  0.2036  0.6444  1
  Au  Au4  4  0.0000  0.1305  0.2500  1
]