data_[Tl3Pb6Au3]
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 [R3m]
_cell_length_a [4.6269]
_cell_length_b [4.6269]
_cell_length_c [20.3581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TlPb2Au]
_chemical_formula_sum '[Tl3 Pb6 Au3]'
_cell_volume [377.4366]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4993  1.0
  Pb  Pb1  3  0.0000  0.0000  0.7287  1.0
  Pb  Pb2  3  0.0000  0.0000  0.9391  1.0
  Au  Au3  3  0.0000  0.0000  0.3329  1.0
]