data_[Co2H80C20Br4N40O20]
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
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.8562]
_cell_length_b [7.2714]
_cell_length_c [23.9117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoH40C10Br2(N2O)10]
_chemical_formula_sum '[Co2 H80 C20 Br4 N40 O20]'
_cell_volume [1702.7263]
_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
[
  Co  Co0  2  0.0000  0.0000  0.0000  1
  H  H1  4  0.0929  0.5853  0.8732  1
  H  H2  4  0.1119  0.2024  0.8308  1
  H  H3  4  0.1309  0.5480  0.2560  1
  H  H4  4  0.1312  0.1062  0.2393  1
  H  H5  4  0.1335  0.7183  0.9342  1
  H  H6  4  0.1392  0.0640  0.6663  1
  H  H7  4  0.1526  0.6015  0.6064  1
  H  H8  4  0.2270  0.2412  0.4982  1
  H  H9  4  0.2643  0.1739  0.6322  1
  H  H10  4  0.2673  0.1921  0.3530  1
  H  H11  4  0.2861  0.6634  0.2487  1
  H  H12  4  0.2869  0.5139  0.7414  1
  H  H13  4  0.3083  0.7033  0.6344  1
  H  H14  4  0.3154  0.1261  0.4485  1
  H  H15  4  0.3644  0.5687  0.4415  1
  H  H16  4  0.3905  0.6558  0.9997  1
  H  H17  4  0.4324  0.0158  0.8822  1
  H  H18  4  0.4377  0.6357  0.0725  1
  H  H19  4  0.4949  0.1815  0.1821  1
  H  H20  4  0.4985  0.5822  0.8275  1
  C  C21  4  0.0693  0.2088  0.5938  1
  C  C22  4  0.1129  0.6729  0.7454  1
  C  C23  4  0.1582  0.2109  0.9165  1
  C  C24  4  0.2631  0.7103  0.5478  1
  C  C25  4  0.4406  0.7327  0.8926  1
  Br  Br26  4  0.4855  0.2292  0.7996  1
  N  N27  4  0.0637  0.6756  0.9018  1
  N  N28  4  0.1644  0.1402  0.6335  1
  N  N29  4  0.1767  0.2432  0.3629  1
  N  N30  4  0.1828  0.6662  0.2489  1
  N  N31  4  0.1833  0.5155  0.7399  1
  N  N32  4  0.2392  0.6713  0.6007  1
  N  N33  4  0.2532  0.2309  0.4580  1
  N  N34  4  0.3753  0.6905  0.0400  1
  N  N35  4  0.4150  0.5927  0.4075  1
  N  N36  4  0.4949  0.2108  0.6549  1
  O  O37  4  0.0162  0.1701  0.7536  1
  O  O38  4  0.0551  0.1161  0.9257  1
  O  O39  4  0.1078  0.1961  0.0537  1
  O  O40  4  0.1844  0.6560  0.5046  1
  O  O41  4  0.4125  0.5951  0.9215  1
]