data_[Na8In4Sn4I20]
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 [4.5900]
_cell_length_b [19.9168]
_cell_length_c [17.0340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2InSnI5]
_chemical_formula_sum '[Na8 In4 Sn4 I20]'
_cell_volume [1557.2187]
_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  0.0337  0.6531  1.0
  Na  Na1  4  0.0000  0.1415  0.2555  1.0
  In  In2  4  0.0000  0.4123  0.4288  1.0
  Sn  Sn3  4  0.0000  0.2870  0.0430  1.0
  I  I4  4  0.0000  0.1232  0.0657  1.0
  I  I5  4  0.0000  0.2042  0.6774  1.0
  I  I6  4  0.0000  0.2305  0.4101  1.0
  I  I7  4  0.0000  0.4408  0.0253  1.0
  I  I8  4  0.0000  0.4677  0.7652  1.0
]