data_NiH6(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.32
_cell_length_c   8.91
_cell_angle_alpha   74.22
_cell_angle_beta   73.3
_cell_angle_gamma   82.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH6(SO6)2
_chemical_formula_sum   'Ni1 H6 S2 O12'
_cell_volume   325.66
_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  0.0  0.0  0.0  1.0
  H  H1  1  0.24  0.35  0.65  1.0
  H  H2  1  0.38  0.05  0.61  1.0
  H  H3  1  0.26  0.9  0.38  1.0
  H  H4  1  0.36  0.5  0.88  1.0
  H  H5  1  0.72  0.08  0.17  1.0
  H  H6  1  0.89  0.32  0.09  1.0
  S  S7  1  0.85  0.32  0.6  1.0
  S  S8  1  0.77  0.08  0.66  1.0
  O  O9  1  0.15  0.93  0.94  1.0
  O  O10  1  0.46  0.47  0.32  1.0
  O  O11  1  0.05  0.21  0.46  1.0
  O  O12  1  0.56  0.19  0.8  1.0
  O  O13  1  0.85  0.81  0.96  1.0
  O  O14  1  0.77  0.6  0.3  1.0
  O  O15  1  0.67  0.53  0.72  1.0
  O  O16  1  0.94  0.87  0.55  1.0
  O  O17  1  0.64  0.82  0.96  1.0
  O  O18  1  0.97  0.58  0.3  1.0
  O  O19  1  0.03  0.78  0.52  1.0
  O  O20  1  0.58  0.62  0.75  1.0

data_NiH6(SO6)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.28
_cell_length_b   6.32
_cell_length_c   8.91
_cell_angle_alpha   74.22
_cell_angle_beta   73.3
_cell_angle_gamma   82.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH6(SO6)2
_chemical_formula_sum   'Ni1 H6 S2 O12'
_cell_volume   325.66
_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  0.0  0.0  0.0  1.0
  H  H1  1  0.24  0.35  0.65  1.0
  H  H2  1  0.26  0.9  0.38  1.0
  H  H3  1  0.36  0.5  0.88  1.0
  H  H4  1  0.38  0.05  0.61  1.0
  H  H5  1  0.72  0.08  0.17  1.0
  H  H6  1  0.89  0.32  0.09  1.0
  S  S7  1  0.77  0.08  0.66  1.0
  S  S8  1  0.85  0.32  0.6  1.0
  O  O9  1  0.03  0.78  0.52  1.0
  O  O10  1  0.05  0.21  0.46  1.0
  O  O11  1  0.15  0.93  0.94  1.0
  O  O12  1  0.46  0.47  0.32  1.0
  O  O13  1  0.56  0.19  0.8  1.0
  O  O14  1  0.58  0.62  0.75  1.0
  O  O15  1  0.64  0.82  0.96  1.0
  O  O16  1  0.67  0.53  0.72  1.0
  O  O17  1  0.77  0.6  0.3  1.0
  O  O18  1  0.85  0.81  0.96  1.0
  O  O19  1  0.94  0.87  0.55  1.0
  O  O20  1  0.97  0.58  0.3  1.0

Ni H H H H H H S S O O O O O O O O O O O O