data_[Tl4Pb12Au12]
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 [7.4796]
_cell_length_b [12.8134]
_cell_length_c [8.1261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(PbAu)3]
_chemical_formula_sum '[Tl4 Pb12 Au12]'
_cell_volume [763.9099]
_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  0.2347  0.0000  0.9840  1.0
  Pb  Pb1  4  0.0000  0.2114  0.5000  1.0
  Pb  Pb2  4  0.0000  0.2576  0.0000  1.0
  Pb  Pb3  4  0.1294  0.5000  0.3679  1.0
  Au  Au4  8  0.2078  0.3467  0.7439  1.0
  Au  Au5  4  0.0432  0.0000  0.3311  1.0
]