data_[Na2H2I4]
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 [Pc]
_cell_length_a [6.8584]
_cell_length_b [4.7290]
_cell_length_c [8.5550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [NaHI2]
_chemical_formula_sum '[Na2 H2 I4]'
_cell_volume [273.6799]
_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  2  0.2627  0.2463  0.7938  1.0
  H  H1  2  0.7688  0.0047  0.0464  1.0
  I  I2  2  0.0194  0.2289  0.0881  1.0
  I  I3  2  0.5375  0.2041  0.5068  1.0
]