data_[Na8Sn4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2822]
_cell_length_b [15.7248]
_cell_length_c [14.6527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2SnI5]
_chemical_formula_sum '[Na8 Sn4 I20]'
_cell_volume [1447.4911]
_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  0.0000  0.1747  0.5665  1
  Sn  Sn1  4  0.0000  0.1820  0.2500  1
  I  I2  8  0.0000  0.0524  0.1042  1
  I  I3  8  0.0000  0.3205  0.0982  1
  I  I4  4  0.0000  0.2932  0.7500  1
]