# generated using pymatgen
data_CrCo2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86588193
_cell_length_b   10.86499828
_cell_length_c   10.85791696
_cell_angle_alpha   89.23227976
_cell_angle_beta   88.99012502
_cell_angle_gamma   63.74961872
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2H8C14(NO)6
_chemical_formula_sum   'Cr2 Co4 H16 C28 N12 O12'
_cell_volume   1149.46199572
_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  1  0.91311320  0.09111506  0.25443815  1
  Co  Co1  1  0.08689212  0.90888431  0.74555996  1
  Cr  Cr2  1  0.85781610  0.98762129  -0.00185811  1
  Co  Co3  1  0.01524472  0.14223655  0.50462871  1
  Cr  Cr4  1  0.14218608  0.01236470  1.00185476  1
  Co  Co5  1  0.98475158  0.85776850  0.49537240  1
  H  H6  1  0.53854366  0.16806653  0.41299025  1
  H  H7  1  0.83053396  0.46453650  0.08674236  1
  H  H8  1  0.46145852  0.83192287  0.58701388  1
  H  H9  1  0.16947127  0.53546469  0.91325445  1
  H  H10  1  0.33469053  0.15561344  0.51026251  1
  H  H11  1  0.84257799  0.66861139  0.98865559  1
  H  H12  1  0.66530713  0.84438510  0.48973819  1
  H  H13  1  0.15742933  0.33138899  0.01134280  1
  H  H14  1  0.42566362  0.07449481  0.05556509  1
  H  H15  1  0.92936003  0.57527624  0.44163986  1
  H  H16  1  0.57433550  0.92550215  0.94443622  1
  H  H17  1  0.07063246  0.42472991  0.55836038  1
  H  H18  1  0.88794630  0.20805946  0.04690583  1
  H  H19  1  0.78750774  0.12511598  0.45968552  1
  H  H20  1  0.11205557  0.79193851  0.95309037  1
  H  H21  1  0.21248887  0.87488854  0.54031057  1
  C  C22  1  0.62946377  0.11512756  0.17444990  1
  C  C23  1  0.88385747  0.37499990  0.32517032  1
  C  C24  1  0.37054022  0.88486329  0.82555389  1
  C  C25  1  0.11613835  0.62500448  0.67482721  1
  C  C26  1  0.50083173  0.11615775  0.22831218  1
  C  C27  1  0.88357217  0.50314467  0.26980722  1
  C  C28  1  0.49917069  0.88383477  0.77169070  1
  C  C29  1  0.11642589  0.49685939  0.73019132  1
  C  C30  1  0.47103154  0.14275335  0.35628553  1
  C  C31  1  0.85637142  0.53243780  0.14251384  1
  C  C32  1  0.52896959  0.85723859  0.64371785  1
  C  C33  1  0.14363123  0.46756451  0.85748428  1
  C  C34  1  0.35711877  0.13741744  0.41220941  1
  C  C35  1  0.86144750  0.64661278  0.08660585  1
  C  C36  1  0.64287941  0.86257842  0.58779172  1
  C  C37  1  0.13855801  0.35338871  0.91339272  1
  C  C38  1  0.27002515  0.10736606  0.33801215  1
  C  C39  1  0.89271611  0.73279281  0.16082717  1
  C  C40  1  0.72997220  0.89263194  0.66198798  1
  C  C41  1  0.10728791  0.26720889  0.83917154  1
  C  C42  1  0.29557501  0.08667307  0.21097815  1
  C  C43  1  0.91803108  0.70561396  0.28683120  1
  C  C44  1  0.70442565  0.91332383  0.78902291  1
  C  C45  1  0.08196784  0.29438905  0.71316852  1
  C  C46  1  0.41006023  0.09047133  0.15422325  1
  C  C47  1  0.91194339  0.59194753  0.34336621  1
  C  C48  1  0.58994221  0.90952265  0.84577869  1
  C  C49  1  0.08805203  0.40805717  0.65663383  1
  N  N50  1  0.15451968  0.08898307  0.36449065  1
  N  N51  1  0.91049614  0.84896257  0.13546281  1
  N  N52  1  0.84547413  0.91102234  0.63550904  1
  N  N53  1  0.08951559  0.15103775  0.86454008  1
  N  N54  1  0.11260436  0.05504893  0.26182735  1
  N  N55  1  0.94923255  0.88859316  0.23903260  1
  N  N56  1  0.88738801  0.94496163  0.73817025  1
  N  N57  1  0.05077263  0.11140767  0.76096904  1
  N  N58  1  0.19182816  0.06048050  0.16579681  1
  N  N59  1  0.95029093  0.80641962  0.33153905  1
  N  N60  1  0.80816614  0.93953095  0.83420092  1
  N  N61  1  0.04970854  0.19358245  0.66846248  1
  O  O62  1  0.93888709  0.10909482  0.05963391  1
  O  O63  1  0.88523169  0.07167025  0.44317030  1
  O  O64  1  0.06111157  0.89090235  0.94036215  1
  O  O65  1  0.11476580  0.92833467  0.55683000  1
  O  O66  1  0.70069262  0.14938339  0.24416282  1
  O  O67  1  0.85324086  0.30175753  0.25277849  1
  O  O68  1  0.29930757  0.85061158  0.75583973  1
  O  O69  1  0.14675383  0.69824854  0.74721912  1
  O  O70  1  0.66094214  0.07840297  0.06033278  1
  O  O71  1  0.91602171  0.34867899  0.43831627  1
  O  O72  1  0.33906251  0.92158520  0.93967070  1
  O  O73  1  0.08397344  0.65132463  0.56168179  1
