data_[Ni8H4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8436]
_cell_length_b [3.9058]
_cell_length_c [6.0441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni2HO3]
_chemical_formula_sum '[Ni8 H4 O12]'
_cell_volume [221.1569]
_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  8  0.1630  0.4994  0.5814  1.0
  H  H1  4  0.0000  0.1919  0.7500  1.0
  O  O2  8  0.1932  0.0010  0.0966  1.0
  O  O3  4  0.0000  0.4438  0.7500  1.0
]