data_[Na2H4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5927]
_cell_length_b [8.2132]
_cell_length_c [10.2095]
_cell_angle_alpha [104.6769]
_cell_angle_beta [94.6324]
_cell_angle_gamma [104.3039]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na(HI2)2]
_chemical_formula_sum '[Na2 H4 I8]'
_cell_volume [512.1054]
_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  1  0.0733  0.1032  0.9507  1.0
  Na  Na1  1  0.1786  0.1676  0.4305  1.0
  H  H2  1  0.0353  0.6298  0.6874  1.0
  H  H3  1  0.4482  0.7165  0.3417  1.0
  H  H4  1  0.5215  0.1121  0.8235  1.0
  H  H5  1  0.9549  0.6436  0.1885  1.0
  I  I6  1  0.0458  0.3272  0.7284  1.0
  I  I7  1  0.4213  0.3730  0.2313  1.0
  I  I8  1  0.4988  0.9158  0.4490  1.0
  I  I9  1  0.5088  0.9525  0.9061  1.0
  I  I10  1  0.5478  0.3346  0.7251  1.0
  I  I11  1  0.9171  0.8303  0.1612  1.0
  I  I12  1  0.9200  0.3689  0.2319  1.0
  I  I13  1  0.9286  0.7748  0.6448  1.0
]