data_[Tl1Pb3Au8]
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 [P3m1]
_cell_length_a [5.7886]
_cell_length_b [5.7886]
_cell_length_c [9.1979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TlPb3Au8]
_chemical_formula_sum '[Tl1 Pb3 Au8]'
_cell_volume [266.9114]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4360  1.0
  Pb  Pb1  1  0.0000  0.0000  0.0505  1.0
  Pb  Pb2  1  0.6667  0.3333  0.5593  1.0
  Pb  Pb3  1  0.6667  0.3333  0.9409  1.0
  Au  Au4  3  0.1640  0.3279  0.7512  1.0
  Au  Au5  3  0.5034  0.0068  0.2513  1.0
  Au  Au6  1  0.3333  0.6667  0.0044  1.0
  Au  Au7  1  0.3333  0.6667  0.5015  1.0
]