data_[Tl2Pb12Au2]
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 [4.7090]
_cell_length_b [9.4928]
_cell_length_c [10.7901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TlPb6Au]
_chemical_formula_sum '[Tl2 Pb12 Au2]'
_cell_volume [482.3375]
_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  2  0.5000  0.0000  0.1198  1
  Pb  Pb1  4  0.0000  0.1983  0.6162  1
  Pb  Pb2  4  0.5000  0.2464  0.3652  1
  Pb  Pb3  2  0.0000  0.0000  0.3484  1
  Pb  Pb4  2  0.0000  0.0000  0.8854  1
  Au  Au5  2  0.5000  0.0000  0.6836  1
]