data_[Tl12Pd24Au4]
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 [Cmc2_1]
_cell_length_a [11.5037]
_cell_length_b [13.3950]
_cell_length_c [4.9408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3Pd6Au]
_chemical_formula_sum '[Tl12 Pd24 Au4]'
_cell_volume [761.3295]
_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  0.2112  0.0949  0.5493  1
  Tl  Tl1  4  0.0000  0.3705  0.8951  1
  Pd  Pd2  8  0.1233  0.4428  0.4424  1
  Pd  Pd3  8  0.2098  0.2056  0.0696  1
  Pd  Pd4  4  0.0000  0.0514  0.3093  1
  Pd  Pd5  4  0.0000  0.2586  0.3546  1
  Au  Au6  4  0.0000  0.1547  0.8330  1
]