data_[Tl4Pd2Au2]
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 [Cm]
_cell_length_a [9.8882]
_cell_length_b [3.7225]
_cell_length_c [6.4298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2PdAu]
_chemical_formula_sum '[Tl4 Pd2 Au2]'
_cell_volume [187.3112]
_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  0.2339  0.5000  0.8553  1.0
  Tl  Tl1  2  0.3653  0.5000  0.4946  1.0
  Pd  Pd2  2  0.1152  0.0000  0.0647  1.0
  Au  Au3  2  0.4959  0.0000  0.2680  1.0
]