# generated using pymatgen
data_VFe2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33915528
_cell_length_b   9.69551046
_cell_length_c   13.59267021
_cell_angle_alpha   103.77696420
_cell_angle_beta   89.99995492
_cell_angle_gamma   90.00012353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Ni2H32C12(NO2)6
_chemical_formula_sum   'V2 Fe4 Ni4 H64 C24 N12 O24'
_cell_volume   1195.37781275
_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  0.08554148  0.83878592  0.72833757  1
  Fe  Fe1  1  0.58553633  0.66121161  0.77166426  1
  Fe  Fe2  1  0.91445908  0.16121434  0.27166222  1
  Fe  Fe3  1  0.41446283  0.33879004  0.22833581  1
  Ni  Ni4  1  0.92490956  0.54632052  0.73356532  1
  Ni  Ni5  1  0.42491121  0.95367965  0.76643599  1
  Ni  Ni6  1  0.07508980  0.45368064  0.26643684  1
  Ni  Ni7  1  0.57508983  0.04632041  0.23355980  1
  V  V8  1  0.00000109  1.00000140  0.99999991  1
  V  V9  1  0.50000107  0.49999910  0.49999998  1
  H  H10  1  0.19101069  0.21039437  0.10085073  1
  H  H11  1  0.69100847  0.28960325  0.39915352  1
  H  H12  1  0.80898714  0.78961421  0.89914914  1
  H  H13  1  0.30899194  0.71039165  0.60084653  1
  H  H14  1  0.26695956  0.11935933  0.98891883  1
  H  H15  1  0.76695692  0.38063861  0.51108468  1
  H  H16  1  0.73304415  0.88064585  0.01108626  1
  H  H17  1  0.23304644  0.61935789  0.48891262  1
  H  H18  1  0.53163458  0.46741032  0.86957297  1
  H  H19  1  0.03163826  0.03258541  0.63042884  1
  H  H20  1  0.46836519  0.53259103  0.13042805  1
  H  H21  1  0.96836206  0.96741503  0.36957074  1
  H  H22  1  0.51194625  0.23529898  0.89857458  1
  H  H23  1  0.01194727  0.26469539  0.60142533  1
  H  H24  1  0.48805645  0.76470056  0.10142383  1
  H  H25  1  0.98805583  0.73530509  0.39857746  1
  H  H26  1  0.72568904  0.02056952  0.85989918  1
  H  H27  1  0.22568337  0.47942576  0.64010075  1
  H  H28  1  0.27431441  0.97943366  0.14010004  1
  H  H29  1  0.77432038  0.52057149  0.35990059  1
  H  H30  1  0.87276388  0.07006269  0.79278081  1
  H  H31  1  0.37275988  0.42993808  0.70721951  1
  H  H32  1  0.12724136  0.92994151  0.20722018  1
  H  H33  1  0.62724565  0.57005922  0.29277998  1
  H  H34  1  0.19537425  0.33550452  0.96461463  1
  H  H35  1  0.69537104  0.16449650  0.53539140  1
  H  H36  1  0.80462874  0.66449038  0.03537382  1
  H  H37  1  0.30463069  0.83550445  0.46461314  1
  H  H38  1  0.27883828  0.14375008  0.84305421  1
  H  H39  1  0.77884456  0.35624173  0.65694596  1
  H  H40  1  0.72114555  0.85623036  0.15694763  1
  H  H41  1  0.22114761  0.64376751  0.34305323  1
  H  H42  1  0.58589971  0.38551971  0.06490682  1
  H  H43  1  0.08589836  0.11448167  0.43509039  1
  H  H44  1  0.41409954  0.61447990  0.93509322  1
  H  H45  1  0.91410171  0.88551954  0.56491030  1
  H  H46  1  0.74015785  0.43249000  -0.00579784  1
  H  H47  1  0.24015589  0.06750572  0.50579251  1
  H  H48  1  0.25984199  0.56751051  1.00579893  1
  H  H49  1  0.75984416  0.93249342  0.49420611  1
  H  H50  1  0.81049268  0.27254500  0.10089083  1
  H  H51  1  0.31049210  0.22745717  0.39910872  1
  H  H52  1  0.18950449  0.72745248  0.89911068  1
  H  H53  1  0.68950646  0.77254410  0.60089061  1
  H  H54  1  0.69150553  0.13937781  0.03705291  1
  H  H55  1  0.19150419  0.36062185  0.46294752  1
  H  H56  1  0.30849431  0.86062035  0.96294474  1
  H  H57  1  0.80849669  0.63937944  0.53705413  1
  H  H58  1  0.77489006  0.30578612  0.80411888  1
  H  H59  1  0.27489337  0.19420705  0.69587805  1
  H  H60  1  0.22511408  0.69422158  0.19588689  1
  H  H61  1  0.72511212  0.80578737  0.30411844  1
  H  H62  1  0.64469481  0.17238182  0.75310395  1
  H  H63  1  0.14469918  0.32760438  0.74689740  1
  H  H64  1  0.35531620  0.82762888  0.24689304  1
  H  H65  1  0.85531226  0.67238501  0.25310609  1
  H  H66  1  0.96985079  0.45687490  0.10633589  1
  H  H67  1  0.46983639  0.04311592  0.39365412  1
  H  H68  1  0.03011152  0.54314420  0.89368325  1
  H  H69  1  0.53013863  0.95686500  0.60632805  1
  H  H70  1  0.96138325  0.34498503  0.89547420  1
  H  H71  1  0.46137564  0.15501070  0.60452648  1
  H  H72  1  0.03861540  0.65502497  0.10453120  1
  H  H73  1  0.53862396  0.84498013  0.39546766  1
  C  C74  1  0.79366908  0.11001958  0.85227217  1
  C  C75  1  0.29366611  0.38997813  0.64772815  1
  C  C76  1  0.20633445  0.88998398  0.14772779  1
  C  C77  1  0.70633803  0.61001896  0.35227244  1
  C  C78  1  0.11688295  0.25584339  0.97356489  1
  C  C79  1  0.61687893  0.24415622  0.52644030  1
  C  C80  1  0.88311965  0.74415502  0.02643007  1
  C  C81  1  0.38312322  0.75584392  0.47356192  1
  C  C82  1  0.67059071  0.34199831  0.99725093  1
  C  C83  1  0.17059022  0.15799942  0.50274728  1
  C  C84  1  0.32940916  0.65800192  0.00274982  1
  C  C85  1  0.82941021  0.84200074  0.49725278  1
  C  C86  1  0.75918676  0.22778678  0.02781974  1
  C  C87  1  0.25918571  0.27221289  0.47218011  1
  C  C88  1  0.24081280  0.77221307  0.97218066  1
  C  C89  1  0.74081468  0.72778722  0.52781997  1
  C  C90  1  0.70384156  0.22463453  0.82184216  1
  C  C91  1  0.20384301  0.27535858  0.67815696  1
  C  C92  1  0.29616275  0.77537045  0.17815875  1
  C  C93  1  0.79616228  0.72463714  0.32184293  1
  C  C94  1  0.98191152  0.26373308  0.93990261  1
  C  C95  1  0.48190699  0.23626459  0.56009949  1
  C  C96  1  0.01808966  0.73627048  0.06009904  1
  C  C97  1  0.51809433  0.76373254  0.43989885  1
  N  N98  1  0.87008398  0.16714857  0.94985913  1
  N  N99  1  0.37008213  0.33284971  0.55014165  1
  N  N100  1  0.12991811  0.83285430  0.05014173  1
  N  N101  1  0.62991997  0.66714842  0.44985799  1
  N  N102  1  0.16914170  0.15443684  0.02392983  1
  N  N103  1  0.66913891  0.34556142  0.47607416  1
  N  N104  1  0.83085964  0.84556779  0.97606989  1
  N  N105  1  0.33086322  0.65443579  0.52392605  1
  N  N106  1  0.60306142  0.29730031  0.89940922  1
  N  N107  1  0.10306203  0.20269371  0.60059006  1
  N  N108  1  0.39693952  0.70270042  0.10059060  1
  N  N109  1  0.89694020  0.79730569  0.39941088  1
  O  O110  1  0.05214620  0.92738133  0.87243713  1
  O  O111  1  0.55214047  0.57261994  0.62756349  1
  O  O112  1  0.94785710  0.07262150  0.12756229  1
  O  O113  1  0.44786210  0.42737804  0.37243684  1
  O  O114  1  -0.01567079  0.94585916  0.64263912  1
  O  O115  1  0.48432647  0.55413734  0.85736312  1
  O  O116  1  1.01567204  0.05414081  0.35736039  1
  O  O117  1  0.51567423  0.44586456  0.14263796  1
  O  O118  1  0.86491497  0.38576327  0.62700588  1
  O  O119  1  0.36491370  0.11423914  0.87299448  1
  O  O120  1  0.13508809  0.61423500  0.37299926  1
  O  O121  1  0.63508676  0.88576040  0.12699819  1
  O  O122  1  0.05242687  0.64841918  0.67671429  1
  O  O123  1  0.55241651  0.85157560  0.82329229  1
  O  O124  1  0.94757291  0.35158183  0.32328707  1
  O  O125  1  0.44758416  0.14842585  0.17670573  1
  O  O126  1  0.27840387  0.83575336  0.70149384  1
  O  O127  1  0.77840176  0.66425309  0.79849777  1
  O  O128  1  0.72159663  0.16424205  0.29850769  1
  O  O129  1  0.22159744  0.33575336  0.20149989  1
  O  O130  1  0.00412619  0.46173671  0.83943889  1
  O  O131  1  0.50414232  1.03827354  0.66056949  1
  O  O132  1  0.99585580  0.53828011  0.16057677  1
  O  O133  1  0.49584750  -0.03829049  0.33941533  1
