data_[Tl4Pb4Au4]
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 [C2/m]
_cell_length_a [14.2549]
_cell_length_b [3.9931]
_cell_length_c [6.0903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlPbAu]
_chemical_formula_sum '[Tl4 Pb4 Au4]'
_cell_volume [334.1518]
_cell_formula_units_Z [4]
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  0.0692  0.0000  0.2843  1
  Pb  Pb1  4  0.1462  0.5000  0.8259  1
  Au  Au2  4  0.2299  0.5000  0.3199  1
]