data_NaH4IO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   6.96
_cell_length_c   7.04
_cell_angle_alpha   109.46
_cell_angle_beta   99.23
_cell_angle_gamma   114.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaH4IO2
_chemical_formula_sum   'Na2 H8 I2 O4'
_cell_volume   230.78
_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  Na10  1  0.83  0.44  0.99  1.0
  Na  Na11  1  0.03  0.84  0.23  1.0
  H  H0  1  0.97  0.16  0.86  1.0
  H  H1  1  0.37  0.23  0.87  1.0
  H  H2  1  0.39  0.3  0.65  1.0
  H  H3  1  0.26  0.98  0.71  1.0
  H  H4  1  0.6  0.3  0.52  1.0
  H  H5  1  0.48  0.97  0.58  1.0
  H  H6  1  0.49  0.04  0.36  1.0
  H  H7  1  0.9  0.12  0.37  1.0
  I  I8  1  0.5  0.71  0.36  1.0
  I  I9  1  0.36  0.56  0.87  1.0
  O  O12  1  0.86  0.19  0.77  1.0
  O  O13  1  0.02  0.04  0.77  1.0
  O  O14  1  0.84  0.23  0.46  1.0
  O  O15  1  0.0  0.08  0.46  1.0

data_NaH4IO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.84
_cell_length_b   6.96
_cell_length_c   7.04
_cell_angle_alpha   109.46
_cell_angle_beta   99.23
_cell_angle_gamma   114.15
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaH4IO2
_chemical_formula_sum   'Na2 H8 I2 O4'
_cell_volume   230.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.4  0.3  0.88  1.0
  H  H1  2  0.05  0.84  0.47  1.0
  H  H2  2  0.06  0.91  0.25  1.0
  H  H3  2  0.17  0.16  0.4  1.0
  H  H4  2  0.47  0.98  0.25  1.0
  I  I5  2  0.07  0.58  0.24  1.0
  O  O6  2  0.41  0.09  0.34  1.0
  O  O7  2  0.43  0.05  0.65  1.0

Na Na H H H H H H H H I I O O O O
Na Na H H H H H H H H I I O O O O 0 3 o o o 0 1 + o + 0 12 o o o 0 2 o o o 1 15 o + o 1 9 - + o 1 8 o + o 2 12 o o o 2 13 + o o 3 13 o o o 3 4 o o o 3 5 o - o 3 11 o o o 4 15 o o o 4 11 o o o 4 6 o o o 5 13 o + o 5 7 o o o 6 14 o o o 6 8 o o o 7 8 o + o 7 10 o o o 7 12 o + o 8 14 o o o 8 10 o - o 9 14 o o o 9 15 + o o 