data_[Na32Pb8I48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.2418]
_cell_length_b [13.1803]
_cell_length_c [27.9479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Na4PbI6]
_chemical_formula_sum '[Na32 Pb8 I48]'
_cell_volume [3404.3261]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.0523  1
  Na  Na1  8  0.0000  0.0000  0.2188  1
  Na  Na2  8  0.0000  0.0000  0.3894  1
  Na  Na3  8  0.0000  0.0000  0.5544  1
  Pb  Pb4  8  0.0000  0.0000  0.7210  1
  I  I5  16  0.0003  0.2591  0.8872  1
  I  I6  16  0.0040  0.2463  0.7231  1
  I  I7  16  0.0048  0.2522  0.5504  1
]