data_[Ni4H4O8]
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/m]
_cell_length_a [9.1543]
_cell_length_b [2.9193]
_cell_length_c [5.1788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiHO2]
_chemical_formula_sum '[Ni4 H4 O8]'
_cell_volume [136.5845]
_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  2  0.0000  0.0000  0.5000  1
  Ni  Ni1  2  0.0000  0.5000  0.0000  1
  H  H2  4  0.2238  0.0000  0.2819  1
  O  O3  4  0.1071  0.5000  0.6763  1
  O  O4  4  0.1107  0.0000  0.2243  1
]