data_[Co4H80S8N24Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  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 [P2_1/c]
_cell_length_a [7.1980]
_cell_length_b [13.8759]
_cell_length_c [12.8892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoH20S2N6ClO4]
_chemical_formula_sum '[Co4 H80 S8 N24 Cl4 O16]'
_cell_volume [1287.3150]
_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
[
  Co  Co0  2  0.0000  0.0000  0.5000  1
  Co  Co1  2  0.5000  0.0000  0.0000  1
  H  H2  4  0.0221  0.0704  0.6796  1
  H  H3  4  0.0645  0.2430  0.7957  1
  H  H4  4  0.1000  0.6466  0.8929  1
  H  H5  4  0.1299  0.1443  0.5974  1
  H  H6  4  0.1358  0.0875  0.3449  1
  H  H7  4  0.1411  0.7311  0.2288  1
  H  H8  4  0.1567  0.6084  0.1316  1
  H  H9  4  0.1915  0.0810  0.0400  1
  H  H10  4  0.2042  0.5739  0.5677  1
  H  H11  4  0.2296  0.0862  0.9139  1
  H  H12  4  0.2525  0.1197  0.4525  1
  H  H13  4  0.2732  0.6140  0.0233  1
  H  H14  4  0.2912  0.0141  0.3953  1
  H  H15  4  0.2925  0.6489  0.4798  1
  H  H16  4  0.3035  0.5199  0.1007  1
  H  H17  4  0.3350  0.5550  0.3379  1
  H  H18  4  0.3360  0.1625  0.9953  1
  H  H19  4  0.3791  0.6461  0.5978  1
  H  H20  4  0.4490  0.0936  0.1708  1
  H  H21  4  0.4993  0.0196  0.8019  1
  S  S22  4  0.4216  0.2413  0.7740  1
  S  S23  4  0.4987  0.6845  0.8626  1
  N  N24  4  0.0142  0.1016  0.6070  1
  N  N25  4  0.1895  0.0633  0.4142  1
  N  N26  4  0.2060  0.5673  0.0718  1
  N  N27  4  0.2931  0.0923  0.9851  1
  N  N28  4  0.3254  0.6029  0.5397  1
  N  N29  4  0.4714  0.5359  0.3523  1
  Cl  Cl30  4  0.0079  0.5373  0.3242  1
  O  O31  4  0.0584  0.7494  0.1720  1
  O  O32  4  0.3140  0.7254  0.8909  1
  O  O33  4  0.3612  0.2100  0.5556  1
  O  O34  4  0.4864  0.5771  0.8536  1
]