data_[Na2H4I2]
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 [P2_1/m]
_cell_length_a [4.4758]
_cell_length_b [4.5609]
_cell_length_c [9.7766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaH2I]
_chemical_formula_sum '[Na2 H4 I2]'
_cell_volume [198.0298]
_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  0.2919  0.2500  0.1481  1.0
  H  H1  4  0.3308  0.1680  0.4201  1.0
  I  I2  2  0.1999  0.2500  0.8178  1.0
]