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 [P2_1/m]
_cell_length_a [3.7654]
_cell_length_b [9.3059]
_cell_length_c [6.7148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl2PbAu]
_chemical_formula_sum '[Tl4 Pb2 Au2]'
_cell_volume [226.0813]
_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  4  0.3635  0.0582  0.7309  1.0
  Pb  Pb1  2  0.0488  0.2500  0.1064  1.0
  Au  Au2  2  0.2665  0.7500  0.5337  1.0
]