data_[Sn12Pd12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.2024]
_cell_length_b [3.2794]
_cell_length_c [13.5869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sn3Pd3Au]
_chemical_formula_sum '[Sn12 Pd12 Au4]'
_cell_volume [543.6954]
_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
[
  Sn  Sn0  4  0.0405  0.7500  0.3979  1
  Sn  Sn1  4  0.1559  0.7500  0.0571  1
  Sn  Sn2  4  0.1798  0.2500  0.7503  1
  Pd  Pd3  4  0.0598  0.2500  0.9162  1
  Pd  Pd4  4  0.1584  0.7500  0.5798  1
  Pd  Pd5  4  0.2249  0.2500  0.3900  1
  Au  Au6  4  0.0645  0.2500  0.2234  1
]