# generated using pymatgen
data_VFe4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35784105
_cell_length_b   9.71534952
_cell_length_c   13.63674301
_cell_angle_alpha   103.58324593
_cell_angle_beta   90.00000761
_cell_angle_gamma   90.00013261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe4H32C12(NO2)6
_chemical_formula_sum   'V2 Fe8 H64 C24 N12 O24'
_cell_volume   1205.10334618
_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  0.08685633  0.84691512  0.72716309  1
  Fe  Fe1  1  0.58685870  0.65308070  0.77283689  1
  Fe  Fe2  1  0.91314349  0.15307926  0.27283151  1
  Fe  Fe3  1  0.41314093  0.34692596  0.22716792  1
  Fe  Fe4  1  0.92997308  0.53257610  0.72428853  1
  Fe  Fe5  1  0.42997438  0.96741711  0.77571175  1
  Fe  Fe6  1  0.07001476  0.46742733  0.27571212  1
  Fe  Fe7  1  0.57001503  0.03257813  0.22428600  1
  V  V8  1  0.00000794  0.99999483  0.99999824  1
  V  V9  1  0.50000759  0.50000439  0.50000183  1
  H  H10  1  0.19612867  0.19946562  0.08763604  1
  H  H11  1  0.69612536  0.30053265  0.41236049  1
  H  H12  1  0.80389228  0.80053174  0.91236157  1
  H  H13  1  0.30389530  0.69946872  0.58764192  1
  H  H14  1  0.28255617  0.10189199  0.98585438  1
  H  H15  1  0.78255457  0.39810854  0.51413893  1
  H  H16  1  0.71746286  0.89810293  0.01414684  1
  H  H17  1  0.21746316  0.60189665  0.48586024  1
  H  H18  1  0.52575226  0.46346419  0.87440569  1
  H  H19  1  0.02575644  0.03653246  0.62559247  1
  H  H20  1  0.47424890  0.53654011  0.12559729  1
  H  H21  1  0.97424537  0.96346617  0.37440442  1
  H  H22  1  0.52066228  0.22288779  0.89661115  1
  H  H23  1  0.02066488  0.27710469  0.60338996  1
  H  H24  1  0.47933473  0.77711108  0.10338310  1
  H  H25  1  0.97933412  0.72289729  0.39661699  1
  H  H26  1  0.75394042  0.02571824  0.85406172  1
  H  H27  1  0.25394042  0.47428014  0.64594095  1
  H  H28  1  0.24603477  0.97430974  0.14596390  1
  H  H29  1  0.74604167  0.52569532  0.35403982  1
  H  H30  1  0.89933478  0.09276490  0.79631691  1
  H  H31  1  0.39933628  0.40723407  0.70368482  1
  H  H32  1  0.10063164  0.90721386  0.20367552  1
  H  H33  1  0.60063819  0.59278106  0.29632205  1
  H  H34  1  0.20589331  0.33054238  0.96892410  1
  H  H35  1  0.70589760  0.16945913  0.53107443  1
  H  H36  1  0.79407291  0.66946021  0.03108804  1
  H  H37  1  0.29407339  0.83053863  0.46891503  1
  H  H38  1  0.18038589  0.17781571  0.87198470  1
  H  H39  1  0.68039355  0.32218741  0.62801272  1
  H  H40  1  0.81966181  0.82219108  0.12801416  1
  H  H41  1  0.31965082  0.67780592  0.37198821  1
  H  H42  1  0.58633671  0.38720842  0.06459899  1
  H  H43  1  0.08633858  0.11279192  0.43540195  1
  H  H44  1  0.41366236  0.61278401  0.93539476  1
  H  H45  1  0.91366046  0.88721694  0.56460376  1
  H  H46  1  0.74156757  0.43257027  -0.00528419  1
  H  H47  1  0.24157057  0.06742797  0.50528244  1
  H  H48  1  0.25842826  0.56743211  1.00527496  1
  H  H49  1  0.75842522  0.93257088  0.49472516  1
  H  H50  1  0.80781210  0.27125681  0.10337008  1
  H  H51  1  0.30781450  0.22874402  0.39663080  1
  H  H52  1  0.19219333  0.72875546  0.89662588  1
  H  H53  1  0.69219053  0.77124695  0.60337305  1
  H  H54  1  0.69780219  0.13613873  0.03246944  1
  H  H55  1  0.19780315  0.36385948  0.46753169  1
  H  H56  1  0.30220581  0.86386631  0.96753026  1
  H  H57  1  0.80220514  0.63613820  0.53246935  1
  H  H58  1  0.78272726  0.32026365  0.81049848  1
  H  H59  1  0.28273190  0.17973438  0.68950323  1
  H  H60  1  0.21725878  0.67974559  0.18949131  1
  H  H61  1  0.71725887  0.82025537  0.31050466  1
  H  H62  1  0.66699417  0.17883244  0.75223564  1
  H  H63  1  0.16699497  0.32116212  0.74776484  1
  H  H64  1  0.33300238  0.82116564  0.24776483  1
  H  H65  1  0.83300524  0.67883696  0.25223496  1
  H  H66  1  0.97644126  0.43188759  0.10865816  1
  H  H67  1  0.47644764  0.06811312  0.39134095  1
  H  H68  1  0.02352752  0.56810409  0.89135079  1
  H  H69  1  0.52352616  0.93189410  0.60864893  1
  H  H70  1  0.96792106  0.36813956  0.92472627  1
  H  H71  1  0.46792224  0.13186267  0.57527628  1
  H  H72  1  0.03211480  0.63186665  0.07527484  1
  H  H73  1  0.53210941  0.86813119  0.42472042  1
  C  C74  1  0.81489707  0.12177752  0.85272082  1
  C  C75  1  0.31489835  0.37822125  0.64728125  1
  C  C76  1  0.18509507  0.87823373  0.14728458  1
  C  C77  1  0.68509796  0.62176815  0.35271504  1
  C  C78  1  0.14338242  0.23217154  0.94833608  1
  C  C79  1  0.64338445  0.26782899  0.55166239  1
  C  C80  1  0.85662718  0.76781957  0.05166207  1
  C  C81  1  0.35662573  0.73217855  0.44833957  1
  C  C82  1  0.67443759  0.34026701  0.99632484  1
  C  C83  1  0.17444026  0.15972985  0.50367457  1
  C  C84  1  0.32555638  0.65974023  0.00367428  1
  C  C85  1  0.82555491  0.84026548  0.49632612  1
  C  C86  1  0.76320861  0.22829743  0.02848957  1
  C  C87  1  0.26320984  0.27170151  0.47151146  1
  C  C88  1  0.23679817  0.77170411  0.97150784  1
  C  C89  1  0.73679697  0.72829884  0.52849121  1
  C  C90  1  0.71791450  0.23178278  0.82367625  1
  C  C91  1  0.21791714  0.26821335  0.67632477  1
  C  C92  1  0.28207999  0.76822562  0.17632464  1
  C  C93  1  0.78208108  0.73177775  0.32367447  1
  C  C94  1  0.99251718  0.27363846  0.95432356  1
  C  C95  1  0.49251988  0.22636298  0.54567837  1
  C  C96  1  0.00749322  0.72636377  0.04567993  1
  C  C97  1  0.50749063  0.77363597  0.45431841  1
  N  N98  1  0.88123750  0.17444858  0.95511763  1
  N  N99  1  0.38123886  0.32555272  0.54488416  1
  N  N100  1  0.11876438  0.82556195  0.04488102  1
  N  N101  1  0.61876464  0.67443952  0.45511734  1
  N  N102  1  0.18195529  0.13798273  0.01477117  1
  N  N103  1  0.68195362  0.36201616  0.48522541  1
  N  N104  1  0.81806069  0.86200946  0.98523106  1
  N  N105  1  0.31806197  0.63799057  0.51477276  1
  N  N106  1  0.60984868  0.29152686  0.89891852  1
  N  N107  1  0.10985194  0.20846819  0.60108192  1
  N  N108  1  0.39014077  0.70847751  0.10107990  1
  N  N109  1  0.89013950  0.79152931  0.39892007  1
  O  O110  1  0.04168242  0.92670256  0.87087880  1
  O  O111  1  0.54169050  0.57329388  0.62912028  1
  O  O112  1  0.95833045  0.07329712  0.12911390  1
  O  O113  1  0.45832301  0.42670666  0.37088666  1
  O  O114  1  -0.01725005  0.94837906  0.63797437  1
  O  O115  1  0.48274621  0.55161779  0.86202448  1
  O  O116  1  1.01724814  0.05161769  0.36202170  1
  O  O117  1  0.51725051  0.44838801  0.13797887  1
  O  O118  1  0.88203236  0.38306001  0.62400394  1
  O  O119  1  0.38203754  0.11692988  0.87599812  1
  O  O120  1  0.11796698  0.61693583  0.37599738  1
  O  O121  1  0.61796394  0.88307087  0.12399968  1
  O  O122  1  0.04659602  0.65929493  0.67726662  1
  O  O123  1  0.54660105  0.84070097  0.82273340  1
  O  O124  1  0.95340200  0.34069966  0.32273135  1
  O  O125  1  0.45339946  0.15930584  0.17726832  1
  O  O126  1  0.27844924  0.86151373  0.70231271  1
  O  O127  1  0.77844918  0.63847717  0.79769115  1
  O  O128  1  0.72154921  0.13847559  0.29767889  1
  O  O129  1  0.22154749  0.36153103  0.20231774  1
  O  O130  1  0.03338727  0.48431416  0.83569022  1
  O  O131  1  0.53338482  1.01568295  0.66430987  1
  O  O132  1  0.96658179  0.51567553  0.16431486  1
  O  O133  1  0.46658515  -0.01567389  0.33568360  1
