data_[Na4In8Sn4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  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 [4.6893]
_cell_length_b [20.1900]
_cell_length_c [16.2167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaIn2SnI5]
_chemical_formula_sum '[Na4 In8 Sn4 I20]'
_cell_volume [1535.3519]
_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  0.4505  0.4488  1.0
  In  In1  4  0.0000  0.0849  0.6472  1.0
  In  In2  4  0.0000  0.1241  0.2837  1.0
  Sn  Sn3  4  0.0000  0.2297  0.0338  1.0
  I  I4  4  0.0000  0.0735  0.0694  1.0
  I  I5  4  0.0000  0.2618  0.6756  1.0
  I  I6  4  0.0000  0.2935  0.4025  1.0
  I  I7  4  0.0000  0.3856  0.9922  1.0
  I  I8  4  0.0000  0.4999  0.2708  1.0
]