data_[Na8Sn8Pb20]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [19.8550]
_cell_length_b [9.0736]
_cell_length_c [6.1995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Na2Sn2Pb5]
_chemical_formula_sum '[Na8 Sn8 Pb20]'
_cell_volume [1116.8861]
_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  0.0695  0.1129  0.5171  1.0
  Sn  Sn1  4  0.0000  0.0000  0.0140  1.0
  Sn  Sn2  4  0.2500  0.7277  0.5418  1.0
  Pb  Pb3  8  0.0927  0.7448  0.7717  1.0
  Pb  Pb4  8  0.1648  0.0786  0.0087  1.0
  Pb  Pb5  4  0.2500  0.0875  0.5131  1.0
]