data_[Co4H64C12N32O28]
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 [Cc]
_cell_length_a [12.2928]
_cell_length_b [10.9954]
_cell_length_c [10.3782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CoH16C3N8O7]
_chemical_formula_sum '[Co4 H64 C12 N32 O28]'
_cell_volume [1206.1258]
_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  4  0.0021  0.0751  0.0057  1
  H  H1  4  0.0534  0.1971  0.6784  1
  H  H2  4  0.0751  0.3941  0.5757  1
  H  H3  4  0.0836  0.3109  0.7836  1
  H  H4  4  0.1142  0.2925  0.3500  1
  H  H5  4  0.1244  0.4824  0.4793  1
  H  H6  4  0.1611  0.0645  0.8886  1
  H  H7  4  0.1965  0.1819  0.0020  1
  H  H8  4  0.2288  0.2995  0.5259  1
  H  H9  4  0.2866  0.3190  0.2790  1
  H  H10  4  0.3018  0.2867  0.8252  1
  H  H11  4  0.3506  0.0052  0.1094  1
  H  H12  4  0.3539  0.1078  0.3708  1
  H  H13  4  0.4046  0.4473  0.7447  1
  H  H14  4  0.4087  0.2686  0.2657  1
  H  H15  4  0.4825  0.0958  0.8916  1
  H  H16  4  0.4997  0.3593  0.8933  1
  C  C17  4  0.2374  0.0540  0.6905  1
  C  C18  4  0.2903  0.4251  0.9521  1
  C  C19  4  0.4878  0.1756  0.5740  1
  N  N20  4  0.0783  0.4018  0.4783  1
  N  N21  4  0.1326  0.2919  0.4587  1
  N  N22  4  0.1710  0.0914  0.9893  1
  N  N23  4  0.2673  0.0223  0.1080  1
  N  N24  4  0.3213  0.3778  0.8516  1
  N  N25  4  0.3792  0.2909  0.3402  1
  N  N26  4  0.3875  0.1878  0.4268  1
  N  N27  4  0.4298  0.4248  0.8530  1
  O  O28  4  0.0028  0.4269  0.1352  1
  O  O29  4  0.0171  0.2746  0.6871  1
  O  O30  4  0.0556  0.2291  0.1392  1
  O  O31  4  0.1259  0.0476  0.6738  1
  O  O32  4  0.1981  0.3753  0.9569  1
  O  O33  4  0.3245  0.1232  0.7857  1
  O  O34  4  0.3508  0.4818  0.5309  1
]