data_[Tl4Pb2Au2]
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 [Cm]
_cell_length_a [11.2733]
_cell_length_b [3.7956]
_cell_length_c [6.2566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2PbAu]
_chemical_formula_sum '[Tl4 Pb2 Au2]'
_cell_volume [232.7675]
_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  0.3018  0.5000  0.3582  1.0
  Tl  Tl1  2  0.4819  0.5000  0.9829  1.0
  Pb  Pb2  2  0.1938  0.0000  0.7776  1.0
  Au  Au3  2  0.0225  0.5000  0.3813  1.0
]