data_[Tl8Pd20Au8]
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 [14.4543]
_cell_length_b [5.2178]
_cell_length_c [9.3843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl2Pd5Au2]
_chemical_formula_sum '[Tl8 Pd20 Au8]'
_cell_volume [655.5729]
_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  0.1275  0.2283  0.8682  1
  Pd  Pd1  8  0.1009  0.4530  0.5847  1
  Pd  Pd2  8  0.2009  0.0786  0.1949  1
  Pd  Pd3  4  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.0000  0.2861  0.2500  1
  Au  Au5  4  0.2500  0.2500  0.5000  1
]