data_[Sn16Pd4Au2]
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 [C2/m]
_cell_length_a [8.7286]
_cell_length_b [11.2274]
_cell_length_c [5.7506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn8Pd2Au]
_chemical_formula_sum '[Sn16 Pd4 Au2]'
_cell_volume [547.3522]
_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  8  0.2165  0.1343  0.1533  1.0
  Sn  Sn1  4  0.0000  0.2548  0.5000  1.0
  Sn  Sn2  4  0.1695  0.5000  0.2823  1.0
  Pd  Pd3  4  0.0000  0.3138  0.0000  1.0
  Au  Au4  2  0.0000  0.0000  0.5000  1.0
]