data_[Na2Sn4I16]
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 [C2/m]
_cell_length_a [14.4580]
_cell_length_b [11.6637]
_cell_length_c [7.4533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(SnI4)2]
_chemical_formula_sum '[Na2 Sn4 I16]'
_cell_volume [1237.7437]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  4  0.2066  0.0000  0.6825  1.0
  I  I2  8  0.1050  0.1873  0.7819  1.0
  I  I3  4  0.1067  0.5000  0.1334  1.0
  I  I4  4  0.2014  0.0000  0.3053  1.0
]