data_[Tl4Pb16Au4]
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/m]
_cell_length_a [15.9334]
_cell_length_b [8.1413]
_cell_length_c [5.9936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlPb4Au]
_chemical_formula_sum '[Tl4 Pb16 Au4]'
_cell_volume [737.7970]
_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  0.2050  0.0000  0.1707  1.0
  Pb  Pb1  8  0.1184  0.2218  0.5814  1.0
  Pb  Pb2  4  0.0000  0.2000  0.0000  1.0
  Pb  Pb3  4  0.1709  0.5000  0.1997  1.0
  Au  Au4  4  0.0233  0.5000  0.7449  1.0
]