data_[Na8Li4Sn4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5936]
_cell_length_b [19.9677]
_cell_length_c [16.1010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2LiSnI5]
_chemical_formula_sum '[Na8 Li4 Sn4 I20]'
_cell_volume [1476.8456]
_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  4  0.0000  0.0531  0.3813  1
  Na  Na1  4  0.0000  0.0718  0.6471  1
  Li  Li2  4  0.0000  0.3955  0.4160  1
  Sn  Sn3  4  0.0000  0.2456  0.0306  1
  I  I4  4  0.0000  0.0777  0.0114  1
  I  I5  4  0.0000  0.2332  0.6654  1
  I  I6  4  0.0000  0.2582  0.3894  1
  I  I7  4  0.0000  0.4004  0.0073  1
  I  I8  4  0.0000  0.4798  0.2755  1
]