data_[Na4Sn6I16]
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 [15.4374]
_cell_length_b [9.2041]
_cell_length_c [8.0679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sn3I8]
_chemical_formula_sum '[Na4 Sn6 I16]'
_cell_volume [1139.0122]
_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  4  0.2209  0.5000  0.5682  1.0
  Sn  Sn1  4  0.0000  0.2505  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  I  I3  8  0.1244  0.2384  0.3524  1.0
  I  I4  4  0.1196  0.5000  0.8852  1.0
  I  I5  4  0.1211  0.0000  0.8500  1.0
]