data_[Sn8Pd16Au8]
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 [Cmcm]
_cell_length_a [3.3022]
_cell_length_b [18.1178]
_cell_length_c [9.8378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SnPd2Au]
_chemical_formula_sum '[Sn8 Pd16 Au8]'
_cell_volume [588.5796]
_cell_formula_units_Z [8]
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  8  0.0000  0.1284  0.0225  1
  Pd  Pd1  8  0.0000  0.2783  0.1090  1
  Pd  Pd2  4  0.0000  0.0400  0.2500  1
  Pd  Pd3  4  0.0000  0.1137  0.7500  1
  Au  Au4  4  0.0000  0.3257  0.7500  1
  Au  Au5  4  0.0000  0.5000  0.0000  1
]