data_[Co4H64C24N24O32]
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
  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 [8.9127]
_cell_length_b [11.9282]
_cell_length_c [12.7697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoH16C6(N3O4)2]
_chemical_formula_sum '[Co4 H64 C24 N24 O32]'
_cell_volume [1296.2534]
_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  0.0230  0.2299  0.3615  1
  H  H3  4  0.0260  0.1226  0.2630  1
  H  H4  4  0.0267  0.6750  0.8610  1
  H  H5  4  0.1056  0.2030  0.5809  1
  H  H6  4  0.1651  0.6212  0.4110  1
  H  H7  4  0.1754  0.0210  0.7801  1
  H  H8  4  0.1768  0.6272  0.6846  1
  H  H9  4  0.1810  0.7333  0.0554  1
  H  H10  4  0.3151  0.7276  0.4454  1
  H  H11  4  0.3193  0.6270  0.8172  1
  H  H12  4  0.3279  0.0182  0.7152  1
  H  H13  4  0.3316  0.6277  0.0847  1
  H  H14  4  0.3942  0.2103  0.9309  1
  H  H15  4  0.4729  0.1252  0.2369  1
  H  H16  4  0.4794  0.2302  0.1384  1
  H  H17  4  0.4818  0.6773  0.6350  1
  C  C18  4  0.0491  0.6763  0.2039  1
  C  C19  4  0.2420  0.6750  0.3798  1
  C  C20  4  0.2489  0.6803  0.7506  1
  C  C21  4  0.2504  0.5332  0.2480  1
  C  C22  4  0.2555  0.6791  0.1188  1
  C  C23  4  0.4494  0.6772  0.2951  1
  N  N24  4  0.1442  0.7482  0.2933  1
  N  N25  4  0.1503  0.6039  0.1578  1
  N  N26  4  0.1936  0.0785  0.0398  1
  N  N27  4  0.2999  0.0889  0.4448  1
  N  N28  4  0.3487  0.6028  0.3396  1
  N  N29  4  0.3540  0.7498  0.7068  1
  O  O30  4  0.0399  0.1420  0.5945  1
  O  O31  4  0.1195  0.0852  0.9399  1
  O  O32  4  0.1522  0.1309  0.1121  1
  O  O33  4  0.2031  0.0094  0.4474  1
  O  O34  4  0.2872  0.1833  0.4877  1
  O  O35  4  0.3175  0.0150  0.0719  1
  O  O36  4  0.4038  0.0712  0.3996  1
  O  O37  4  0.4520  0.1472  0.9101  1
]