data_[Sn6Pd16]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0068]
_cell_length_b [4.0068]
_cell_length_c [32.0311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sn3Pd8]
_chemical_formula_sum '[Sn6 Pd16]'
_cell_volume [514.2396]
_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  0.0000  0.0628  1
  Sn  Sn1  2  0.0000  0.0000  0.1883  1
  Sn  Sn2  2  0.0000  0.0000  0.3151  1
  Pd  Pd3  4  0.0000  0.5000  0.1264  1
  Pd  Pd4  4  0.0000  0.5000  0.2531  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
  Pd  Pd6  2  0.5000  0.5000  0.0632  1
  Pd  Pd7  2  0.5000  0.5000  0.1901  1
  Pd  Pd8  2  0.5000  0.5000  0.3159  1
]