data_[Ni2H20C2N2Cl6O4]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7210]
_cell_length_b [6.4623]
_cell_length_c [10.6661]
_cell_angle_alpha [98.0626]
_cell_angle_beta [91.9475]
_cell_angle_gamma [97.5894]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiH10CNCl3O2]
_chemical_formula_sum '[Ni2 H20 C2 N2 Cl6 O4]'
_cell_volume [386.4649]
_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  0.0231  0.8228  0.3594  1
  H  H1  2  0.0761  0.1960  0.9969  1
  H  H2  2  0.1171  0.3835  0.2116  1
  H  H3  2  0.1968  0.8687  0.7020  1
  H  H4  2  0.2167  0.5861  0.5135  1
  H  H5  2  0.2544  0.1652  0.2016  1
  H  H6  2  0.2555  0.4456  0.0031  1
  H  H7  2  0.3670  0.0801  0.7515  1
  H  H8  2  0.3906  0.2094  0.9967  1
  H  H9  2  0.4138  0.4057  0.2119  1
  H  H10  2  0.4176  0.7417  0.4671  1
  C  C11  2  0.2445  0.2896  0.0330  1
  N  N12  2  0.2583  0.3138  0.1733  1
  Cl  Cl13  2  0.2062  0.5177  0.7233  1
  Cl  Cl14  2  0.2239  0.1600  0.4609  1
  Cl  Cl15  2  0.2811  0.8293  0.1864  1
  O  O16  2  0.1977  0.0186  0.7355  1
  O  O17  2  0.2591  0.6622  0.4420  1
]