data_Re2Ni(H2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.54
_cell_length_c   6.91
_cell_angle_alpha   66.36
_cell_angle_beta   71.43
_cell_angle_gamma   72.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Ni(H2O3)4
_chemical_formula_sum   'Re2 Ni1 H8 O12'
_cell_volume   249.18
_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
  Re  Re21  1  0.03  0.64  0.82  1.0
  Re  Re22  1  0.62  0.81  0.34  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  H  H0  1  0.07  0.44  0.42  1.0
  H  H1  1  0.49  0.15  0.62  1.0
  H  H2  1  0.86  0.72  0.72  1.0
  H  H3  1  0.89  0.13  0.23  1.0
  H  H4  1  0.76  0.31  0.93  1.0
  H  H5  1  0.79  0.73  0.45  1.0
  H  H6  1  0.16  0.3  0.55  1.0
  H  H7  1  0.58  0.0  0.74  1.0
  O  O9  1  0.41  0.82  0.59  1.0
  O  O10  1  0.41  0.0  0.02  1.0
  O  O11  1  0.07  0.02  0.14  1.0
  O  O12  1  0.28  0.8  0.38  1.0
  O  O13  1  0.4  0.9  0.42  1.0
  O  O14  1  0.16  0.74  0.15  1.0
  O  O15  1  0.49  0.7  0.02  1.0
  O  O16  1  0.25  0.54  0.74  1.0
  O  O17  1  0.37  0.64  0.79  1.0
  O  O18  1  0.58  0.43  0.02  1.0
  O  O19  1  0.23  0.44  0.14  1.0
  O  O20  1  0.24  0.62  0.57  1.0

data_Re2Ni(H2O3)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.48
_cell_length_b   6.54
_cell_length_c   6.91
_cell_angle_alpha   66.36
_cell_angle_beta   71.43
_cell_angle_gamma   72.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Ni(H2O3)4
_chemical_formula_sum   'Re2 Ni1 H8 O12'
_cell_volume   249.18
_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
  Re  Re0  1  0.03  0.64  0.82  1.0
  Re  Re1  1  0.62  0.81  0.34  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  H  H3  1  0.07  0.44  0.42  1.0
  H  H4  1  0.16  0.3  0.55  1.0
  H  H5  1  0.49  0.15  0.62  1.0
  H  H6  1  0.58  0.0  0.74  1.0
  H  H7  1  0.76  0.31  0.93  1.0
  H  H8  1  0.79  0.73  0.45  1.0
  H  H9  1  0.86  0.72  0.72  1.0
  H  H10  1  0.89  0.13  0.23  1.0
  O  O11  1  0.07  0.02  0.14  1.0
  O  O12  1  0.16  0.74  0.15  1.0
  O  O13  1  0.23  0.44  0.14  1.0
  O  O14  1  0.24  0.62  0.57  1.0
  O  O15  1  0.25  0.54  0.74  1.0
  O  O16  1  0.28  0.8  0.38  1.0
  O  O17  1  0.37  0.64  0.79  1.0
  O  O18  1  0.4  0.9  0.42  1.0
  O  O19  1  0.41  0.82  0.59  1.0
  O  O20  1  0.41  0.0  0.02  1.0
  O  O21  1  0.49  0.7  0.02  1.0
  O  O22  1  0.58  0.43  0.02  1.0

Re Re Ni H H H H H H H H O O O O O O O O O O O O