data_[Tl8Pd12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2274]
_cell_length_b [5.7437]
_cell_length_c [6.2348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl2Pd3Au]
_chemical_formula_sum '[Tl8 Pd12 Au4]'
_cell_volume [459.9601]
_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  8  0.1633  0.4965  0.0821  1
  Pd  Pd1  8  0.1541  0.0040  0.5757  1
  Pd  Pd2  4  0.0000  0.2689  0.2500  1
  Au  Au3  4  0.0000  0.2224  0.7500  1
]