data_Ni(HO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   24.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni(HO)2
_chemical_formula_sum   'Ni1 H2 O2'
_cell_volume   208.08
_cell_formula_units_Z   1
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  1  0.15  0.84  0.09  1.0
  H  H1  1  0.81  0.17  0.17  1.0
  H  H2  1  0.48  0.51  0.01  1.0
  O  O3  1  0.81  0.17  0.13  1.0
  O  O4  1  0.48  0.51  0.05  1.0

Ni H H O O 0 4 - o o 0 4 o + o 0 4 o o o 0 3 - + o 0 3 - o o 0 3 o + o 1 3 o o o 2 4 o o o 
data_Ni(HO)2
_symmetry_space_group_name_H-M   P-3m1
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   24.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   164
_chemical_formula_structural   Ni(HO)2
_chemical_formula_sum   'Ni1 H2 O2'
_cell_volume   208.08
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'y, x, -z'
  8  '-y, -x, z'
  9  'x-y, -y, -z'
  10  '-x+y, y, z'
  11  '-x, -x+y, -z'
  12  'x, 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  1  0.0  0.0  0.0  1.0
  H  H1  2  0.33  0.67  0.92  1.0
  O  O2  2  0.33  0.67  0.96  1.0
