data_[Sn2Pd10Au16]
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 [I-4]
_cell_length_a [7.9647]
_cell_length_b [7.9647]
_cell_length_c [8.1293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [SnPd5Au8]
_chemical_formula_sum '[Sn2 Pd10 Au16]'
_cell_volume [515.6952]
_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
[
  Sn  Sn0  2  0.0000  0.5000  0.2500  1
  Pd  Pd1  8  0.1116  0.1993  0.9120  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  Au  Au3  8  0.0638  0.3336  0.5847  1
  Au  Au4  8  0.1117  0.1816  0.2466  1
]