data_[Tl2Pb2Au2]
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 [Pm]
_cell_length_a [5.1483]
_cell_length_b [4.9805]
_cell_length_c [6.8451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlPbAu]
_chemical_formula_sum '[Tl2 Pb2 Au2]'
_cell_volume [165.2962]
_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  1  0.1084  0.0000  0.1663  1.0
  Tl  Tl1  1  0.4077  0.0000  0.7595  1.0
  Pb  Pb2  1  0.6532  0.5000  0.1902  1.0
  Pb  Pb3  1  0.9200  0.5000  0.7224  1.0
  Au  Au4  1  0.2890  0.5000  0.4577  1.0
  Au  Au5  1  0.7349  0.0000  0.4597  1.0
]