# generated using pymatgen
data_VFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87041648
_cell_length_b   10.86665810
_cell_length_c   10.86322579
_cell_angle_alpha   89.24473805
_cell_angle_beta   89.02851282
_cell_angle_gamma   63.76948186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeCoH8C14(NO)6
_chemical_formula_sum   'V2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1150.88901551
_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
  V  V0  1  0.90277527  0.09764118  0.25351550  1
  V  V1  1  0.09722258  0.90236133  0.74648359  1
  Fe  Fe2  1  0.85582700  0.99059203  -0.00584044  1
  Co  Co3  1  0.01724424  0.14439812  0.50593516  1
  Fe  Fe4  1  0.14417514  0.00940452  1.00584056  1
  Co  Co5  1  0.98275134  0.85560501  0.49406519  1
  H  H6  1  0.53691951  0.16856098  0.41548448  1
  H  H7  1  0.83052870  0.46414753  0.08661045  1
  H  H8  1  0.46308315  0.83142863  0.58451941  1
  H  H9  1  0.16947650  0.53585444  0.91338585  1
  H  H10  1  0.33311476  0.15610859  0.51365997  1
  H  H11  1  0.84276017  0.66841769  0.98966037  1
  H  H12  1  0.66688277  0.84389029  0.48634120  1
  H  H13  1  0.15724723  0.33158368  0.01033830  1
  H  H14  1  0.42443013  0.07447406  0.05955319  1
  H  H15  1  0.92863360  0.57381333  0.44223446  1
  H  H16  1  0.57557130  0.92552138  0.94044865  1
  H  H17  1  0.07135843  0.42619202  0.55776619  1
  H  H18  1  0.87830988  0.21548920  0.04086196  1
  H  H19  1  0.78926850  0.12492850  0.46119909  1
  H  H20  1  0.12168962  0.78451209  0.95913573  1
  H  H21  1  0.21072835  0.87507585  0.53879774  1
  C  C22  1  0.62385645  0.11772351  0.17479214  1
  C  C23  1  0.88301435  0.37615274  0.32714151  1
  C  C24  1  0.37614563  0.88226717  0.82521136  1
  C  C25  1  0.11698209  0.62385194  0.67285643  1
  C  C26  1  0.49716343  0.11830746  0.23154227  1
  C  C27  1  0.88310258  0.50260080  0.27028790  1
  C  C28  1  0.50283864  0.88168463  0.76846131  1
  C  C29  1  0.11689542  0.49740351  0.72971072  1
  C  C30  1  0.46844688  0.14390888  0.35953852  1
  C  C31  1  0.85625687  0.53185054  0.14271367  1
  C  C32  1  0.53155448  0.85608357  0.64046480  1
  C  C33  1  0.14374567  0.46815181  0.85728418  1
  C  C34  1  0.35475470  0.13808076  0.41557034  1
  C  C35  1  0.86205830  0.64570993  0.08740215  1
  C  C36  1  0.64524344  0.86191574  0.58443116  1
  C  C37  1  0.13794745  0.35429151  0.91259681  1
  C  C38  1  0.26792661  0.10717459  0.34180251  1
  C  C39  1  0.89465982  0.73133574  0.16161257  1
  C  C40  1  0.73207105  0.89282460  0.65819782  1
  C  C41  1  0.10534545  0.26866491  0.83838760  1
  C  C42  1  0.29454134  0.08409738  0.21514474  1
  C  C43  1  0.91867868  0.70462218  0.28807925  1
  C  C44  1  0.70545855  0.91590058  0.78485577  1
  C  C45  1  0.08131865  0.29538251  0.71192215  1
  C  C46  1  0.40766005  0.09090718  0.15821211  1
  C  C47  1  0.91174640  0.59129261  0.34389588  1
  C  C48  1  0.59234156  0.90908767  0.84179009  1
  C  C49  1  0.08824870  0.40871260  0.65610402  1
  N  N50  1  0.15299226  0.08816104  0.36858124  1
  N  N51  1  0.91334544  0.84557685  0.13504670  1
  N  N52  1  0.84700163  0.91184415  0.63141727  1
  N  N53  1  0.08666963  0.15441764  0.86495057  1
  N  N54  1  0.10950191  0.05579826  0.26452083  1
  N  N55  1  0.94586924  0.88979671  0.23971846  1
  N  N56  1  0.89049429  0.94420585  0.73547664  1
  N  N57  1  0.05413584  0.11020361  0.76028103  1
  N  N58  1  0.19465715  0.05266850  0.17036671  1
  N  N59  1  0.95024720  0.80523619  0.33292786  1
  N  N60  1  0.80534011  0.94733448  0.82963197  1
  N  N61  1  0.04975174  0.19476764  0.66707255  1
  O  O62  1  0.92782234  0.11924617  0.06525931  1
  O  O63  1  0.88483180  0.07515307  0.43386695  1
  O  O64  1  0.07217787  0.88075491  0.93473769  1
  O  O65  1  0.11516561  0.92485059  0.56613183  1
  O  O66  1  0.69944904  0.14783242  0.24635313  1
  O  O67  1  0.85275196  0.30057982  0.25518970  1
  O  O68  1  0.30054979  0.85216574  0.75364798  1
  O  O69  1  0.14724461  0.69942396  0.74480720  1
  O  O70  1  0.65076753  0.08500108  0.06235214  1
  O  O71  1  0.91429386  0.35049738  0.43951251  1
  O  O72  1  0.34923762  0.91498319  0.93765244  1
  O  O73  1  0.08570063  0.64950599  0.56048538  1
