data_[Tl12Pb4Au2]
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 [Amm2]
_cell_length_a [3.3810]
_cell_length_b [17.0391]
_cell_length_c [9.5121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl6Pb2Au]
_chemical_formula_sum '[Tl12 Pb4 Au2]'
_cell_volume [547.9779]
_cell_formula_units_Z [2]
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  0.0000  0.1303  0.8693  1.0
  Tl  Tl1  4  0.5000  0.1861  0.1863  1.0
  Tl  Tl2  2  0.0000  0.0000  0.2622  1.0
  Tl  Tl3  2  0.5000  0.0000  0.6245  1.0
  Pb  Pb4  4  0.0000  0.1682  0.5024  1.0
  Au  Au5  2  0.5000  0.0000  0.9972  1.0
]