data_[Na8Sn20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.8448]
_cell_length_b [13.8200]
_cell_length_c [6.2502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na2Sn5Pd3]
_chemical_formula_sum '[Na8 Sn20 Pd12]'
_cell_volume [936.7533]
_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
[
  Na  Na0  8  0.2233  0.3343  0.5000  1.0
  Sn  Sn1  8  0.0000  0.2045  0.2500  1.0
  Sn  Sn2  8  0.1858  0.0751  0.5000  1.0
  Sn  Sn3  4  0.0000  0.5000  0.2500  1.0
  Pd  Pd4  8  0.0839  0.3524  0.0000  1.0
  Pd  Pd5  4  0.0000  0.0000  0.2500  1.0
]