data_[Co2H12C32N20]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2796]
_cell_length_b [11.0237]
_cell_length_c [10.7135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoH6(C8N5)2]
_chemical_formula_sum '[Co2 H12 C32 N20]'
_cell_volume [796.6690]
_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  0.5000  1
  H  H1  4  0.3955  0.2140  0.2736  1
  H  H2  4  0.3984  0.7029  0.0706  1
  H  H3  4  0.4555  0.5785  0.1838  1
  C  C4  4  0.0504  0.7439  0.4156  1
  C  C5  4  0.0835  0.6230  0.3946  1
  C  C6  4  0.1055  0.5314  0.5057  1
  C  C7  4  0.1063  0.5855  0.2788  1
  C  C8  4  0.1921  0.5905  0.6378  1
  C  C9  4  0.2412  0.0652  0.0011  1
  C  C10  4  0.3593  0.1030  0.4225  1
  C  C11  4  0.4801  0.1522  0.3553  1
  N  N12  4  0.0257  0.6558  0.9415  1
  N  N13  4  0.1306  0.5521  0.1817  1
  N  N14  4  0.2616  0.6427  0.7394  1
  N  N15  4  0.2660  0.0606  0.4789  1
  N  N16  4  0.3527  0.1380  0.9937  1
]