data_[Ni2H4O4]
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 [5.4530]
_cell_length_b [3.1734]
_cell_length_c [4.6188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni(HO)2]
_chemical_formula_sum '[Ni2 H4 O4]'
_cell_volume [79.7519]
_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
[
  Ni  Ni0  2  0.0000  0.0000  0.0000  1.0
  H  H1  4  0.1925  0.5000  0.4320  1.0
  O  O2  4  0.1807  0.5000  0.2212  1.0
]