data_[Na4Sn4I20]
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/c]
_cell_length_a [12.5060]
_cell_length_b [13.8277]
_cell_length_c [10.8377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaSnI5]
_chemical_formula_sum '[Na4 Sn4 I20]'
_cell_volume [1532.5813]
_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  0.5000  0.0000  1
  Sn  Sn1  4  0.0000  0.1408  0.7500  1
  I  I2  8  0.0648  0.2508  0.5918  1
  I  I3  8  0.2091  0.0290  0.9627  1
  I  I4  4  0.0000  0.4003  0.2500  1
]