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 [P1]
_cell_length_a [3.8658]
_cell_length_b [6.4380]
_cell_length_c [7.3623]
_cell_angle_alpha [74.7254]
_cell_angle_beta [76.1324]
_cell_angle_gamma [73.7932]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlPbAu]
_chemical_formula_sum '[Tl2 Pb2 Au2]'
_cell_volume [166.9817]
_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  0.0433  0.7287  0.3621  1.0
  Tl  Tl1  1  0.6192  0.3209  0.6566  1.0
  Pb  Pb2  1  0.4010  0.2489  0.1994  1.0
  Pb  Pb3  1  0.8091  0.6910  0.8956  1.0
  Au  Au4  1  0.1045  0.0443  0.9734  1.0
  Au  Au5  1  0.3294  0.9541  0.5857  1.0
]