# generated using pymatgen
data_VFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87892904
_cell_length_b   10.87326054
_cell_length_c   10.85903683
_cell_angle_alpha   89.25403783
_cell_angle_beta   89.03739585
_cell_angle_gamma   63.72925298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeNiH8C14(NO)6
_chemical_formula_sum   'V2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1151.65067412
_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
  Fe  Fe0  1  0.90216756  0.09869762  0.25512551  1
  Fe  Fe1  1  0.09783164  0.90130546  0.74487322  1
  V  V2  1  0.85469533  0.98760062  0.00261079  1
  Ni  Ni3  1  0.01962237  0.14045663  0.50354765  1
  V  V4  1  0.14530682  0.01239788  0.99738768  1
  Ni  Ni5  1  0.98037397  0.85954817  0.49645249  1
  H  H6  1  0.53620528  0.16735718  0.41284968  1
  H  H7  1  0.82965904  0.46323863  0.08823682  1
  H  H8  1  0.46379880  0.83263271  0.58715413  1
  H  H9  1  0.17034539  0.53676133  0.91176046  1
  H  H10  1  0.33090502  0.15587853  0.50931682  1
  H  H11  1  0.84167177  0.66687054  0.98914714  1
  H  H12  1  0.66909364  0.84411962  0.49068495  1
  H  H13  1  0.15833619  0.33312838  0.01085057  1
  H  H14  1  0.42614755  0.07554086  0.05503591  1
  H  H15  1  0.92850705  0.57430242  0.44259751  1
  H  H16  1  0.57385436  0.92445349  0.94496558  1
  H  H17  1  0.07148460  0.42570298  0.55740278  1
  H  H18  1  0.87481789  0.21498076  0.03526884  1
  H  H19  1  0.79077967  0.12498420  0.47186901  1
  H  H20  1  0.12518139  0.78501884  0.96472778  1
  H  H21  1  0.20921707  0.87502069  0.52812825  1
  C  C22  1  0.62341733  0.11826387  0.17355267  1
  C  C23  1  0.88381987  0.37404329  0.32474092  1
  C  C24  1  0.37658446  0.88173013  0.82644980  1
  C  C25  1  0.11617627  0.62596104  0.67525809  1
  C  C26  1  0.49712786  0.11783099  0.22847411  1
  C  C27  1  0.88268346  0.50262498  0.27073020  1
  C  C28  1  0.50287421  0.88216216  0.77152886  1
  C  C29  1  0.11731423  0.49737828  0.72926870  1
  C  C30  1  0.46766714  0.14321061  0.35641287  1
  C  C31  1  0.85525262  0.53148381  0.14367397  1
  C  C32  1  0.53233425  0.85678211  0.64359008  1
  C  C33  1  0.14474950  0.46851760  0.85632333  1
  C  C34  1  0.35334616  0.13795633  0.41125085  1
  C  C35  1  0.86001073  0.64522923  0.08720506  1
  C  C36  1  0.64665281  0.86203987  0.58875000  1
  C  C37  1  0.13999483  0.35477039  0.91279387  1
  C  C38  1  0.26719294  0.10753071  0.33578905  1
  C  C39  1  0.89083100  0.73158005  0.16157733  1
  C  C40  1  0.73280529  0.89246894  0.66421218  1
  C  C41  1  0.10917431  0.26841886  0.83842089  1
  C  C42  1  0.29446062  0.08535610  0.20907115  1
  C  C43  1  0.91700665  0.70501694  0.28774819  1
  C  C44  1  0.70554006  0.91464206  0.79092960  1
  C  C45  1  0.08299320  0.29498525  0.71225150  1
  C  C46  1  0.40835856  0.09111041  0.15347568  1
  C  C47  1  0.91105455  0.59149709  0.34440426  1
  C  C48  1  0.59164358  0.90888455  0.84652696  1
  C  C49  1  0.08894076  0.40850762  0.65559522  1
  N  N50  1  0.15397117  0.08557735  0.36185948  1
  N  N51  1  0.90929860  0.84654029  0.13573895  1
  N  N52  1  0.84602332  0.91442742  0.63813961  1
  N  N53  1  0.09070982  0.15345635  0.86425916  1
  N  N54  1  0.12016704  0.04070690  0.26058423  1
  N  N55  1  0.95848244  0.88011077  0.23793458  1
  N  N56  1  0.87982585  0.95930050  0.73941464  1
  N  N57  1  0.04152429  0.11988769  0.76206505  1
  N  N58  1  0.19583460  0.05049856  0.16415131  1
  N  N59  1  0.95189223  0.80423523  0.33212695  1
  N  N60  1  0.80416295  0.94950384  0.83584843  1
  N  N61  1  0.04810851  0.19576564  0.66787286  1
  O  O62  1  0.92771236  0.11694775  0.05270032  1
  O  O63  1  0.88494086  0.07339535  0.44314461  1
  O  O64  1  0.07228716  0.88305263  0.94729712  1
  O  O65  1  0.11505671  0.92660878  0.55685438  1
  O  O66  1  0.69547403  0.15176681  0.24312513  1
  O  O67  1  0.85154528  0.30388812  0.25009760  1
  O  O68  1  0.30452739  0.84822825  0.75687769  1
  O  O69  1  0.14844981  0.69611660  0.74990150  1
  O  O70  1  0.65356202  0.08255679  0.05951257  1
  O  O71  1  0.91908152  0.34340949  0.43645103  1
  O  O72  1  0.34643876  0.91743715  0.94049041  1
  O  O73  1  0.08091419  0.65659373  0.56354791  1
