data_[Ni4H72C16S24N32O16]
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
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [9.0879]
_cell_length_b [10.5689]
_cell_length_c [19.3121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [NiH18C4S6(N2O)4]
_chemical_formula_sum '[Ni4 H72 C16 S24 N32 O16]'
_cell_volume [1854.9068]
_cell_formula_units_Z [4]
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  4  0.1872  0.8256  0.3466  1
  H  H1  4  0.0054  0.3568  0.6887  1
  H  H2  4  0.0125  0.5800  0.9559  1
  H  H3  4  0.0130  0.3411  0.5734  1
  H  H4  4  0.0192  0.2626  0.8982  1
  H  H5  4  0.0442  0.7964  0.0926  1
  H  H6  4  0.0777  0.8774  0.5538  1
  H  H7  4  0.0895  0.5041  0.1593  1
  H  H8  4  0.1017  0.9487  0.0706  1
  H  H9  4  0.1216  0.2858  0.5193  1
  H  H10  4  0.1336  0.5569  0.5390  1
  H  H11  4  0.1679  0.2990  0.7267  1
  H  H12  4  0.1695  0.0911  0.1597  1
  H  H13  4  0.1728  0.6251  0.9144  1
  H  H14  4  0.1742  0.0371  0.2454  1
  H  H15  4  0.2083  0.6998  0.5100  1
  H  H16  4  0.2133  0.7459  0.7953  1
  H  H17  4  0.2227  0.6290  0.7314  1
  H  H18  4  0.2498  0.4438  0.6201  1
  C  C19  4  0.0177  0.7039  0.7471  1
  C  C20  4  0.1122  0.9045  0.1751  1
  C  C21  4  0.1144  0.4381  0.9006  1
  C  C22  4  0.1815  0.3823  0.0910  1
  S  S23  4  0.0462  0.2690  0.0932  1
  S  S24  4  0.0674  0.1069  0.8119  1
  S  S25  4  0.0746  0.7882  0.2350  1
  S  S26  4  0.1968  0.0835  0.4151  1
  S  S27  4  0.2189  0.0663  0.9680  1
  S  S28  4  0.2280  0.6015  0.3566  1
  N  N29  4  0.0084  0.3540  0.9145  1
  N  N30  4  0.0585  0.2891  0.7166  1
  N  N31  4  0.0865  0.8812  0.1079  1
  N  N32  4  0.0951  0.5573  0.9221  1
  N  N33  4  0.1637  0.6973  0.7562  1
  N  N34  4  0.1649  0.0173  0.1939  1
  N  N35  4  0.1859  0.4813  0.1352  1
  N  N36  4  0.2082  0.6285  0.5453  1
  O  O37  4  0.0802  0.1473  0.4561  1
  O  O38  4  0.1122  0.3532  0.5542  1
  O  O39  4  0.1347  0.0282  0.3492  1
  O  O40  4  0.1847  0.8247  0.8975  1
]