data_[Ni4H4I8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8833]
_cell_length_b [10.4869]
_cell_length_c [5.8959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NiH(IO3)2]
_chemical_formula_sum '[Ni4 H4 I8 O24]'
_cell_volume [645.6808]
_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
[
  Ni  Ni0  4  0.0000  0.0061  0.2500  1
  H  H1  4  0.0000  0.2846  0.7500  1
  I  I2  8  0.2195  0.3879  0.1723  1
  O  O3  8  0.1128  0.2703  0.8959  1
  O  O4  8  0.1210  0.0026  0.6192  1
  O  O5  8  0.1453  0.4716  0.4704  1
]