# generated using pymatgen
data_V2Ni3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35762469
_cell_length_b   9.70799321
_cell_length_c   13.64538080
_cell_angle_alpha   103.52047185
_cell_angle_beta   89.99979741
_cell_angle_gamma   90.00004627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Ni3H32C12(NO2)6
_chemical_formula_sum   'V4 Ni6 H64 C24 N12 O24'
_cell_volume   1205.24400278
_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
  Ni  Ni0  1  0.09974748  0.84882966  0.74427795  1
  Ni  Ni1  1  0.59975188  0.65123114  0.75573203  1
  Ni  Ni2  1  0.90014666  0.15132644  0.25576585  1
  Ni  Ni3  1  0.40017515  0.34867108  0.24420228  1
  V  V4  1  0.94710472  0.54883951  0.73454153  1
  V  V5  1  0.44714373  0.95114621  0.76545370  1
  V  V6  1  0.05293095  0.45119680  0.26542962  1
  V  V7  1  0.55295345  0.04879341  0.23455104  1
  Ni  Ni8  1  -0.00005068  1.00001073  0.99992392  1
  Ni  Ni9  1  0.49993352  0.49998589  0.50010595  1
  H  H10  1  0.18551843  0.20448486  0.09378783  1
  H  H11  1  0.68548575  0.29551905  0.40622113  1
  H  H12  1  0.81444769  0.79544775  0.90620803  1
  H  H13  1  0.31440386  0.70454209  0.59379329  1
  H  H14  1  0.27226532  0.09916891  0.99762569  1
  H  H15  1  0.77227075  0.40083176  0.50237222  1
  H  H16  1  0.72792814  0.90091601  0.00247032  1
  H  H17  1  0.22790452  0.59906121  0.49753119  1
  H  H18  1  0.55060971  0.44990895  0.86390926  1
  H  H19  1  0.05073972  0.05021603  0.63624169  1
  H  H20  1  0.44919878  0.55019390  0.13640835  1
  H  H21  1  0.94918479  0.94976162  0.36359521  1
  H  H22  1  0.53457580  0.22114452  0.88938469  1
  H  H23  1  0.03460089  0.27890815  0.61058938  1
  H  H24  1  0.46543788  0.77879282  0.11053603  1
  H  H25  1  0.96535625  0.72117657  0.38936349  1
  H  H26  1  0.76858195  0.02920899  0.85609147  1
  H  H27  1  0.26863181  0.47081586  0.64394771  1
  H  H28  1  0.23146846  0.97080522  0.14382624  1
  H  H29  1  0.73140423  0.52913185  0.35612476  1
  H  H30  1  0.91946205  0.09759034  0.80734762  1
  H  H31  1  0.41949757  0.40242696  0.69270445  1
  H  H32  1  0.08053920  0.90249281  0.19260244  1
  H  H33  1  0.58047592  0.59746974  0.30738112  1
  H  H34  1  0.21257325  0.32090545  0.95910206  1
  H  H35  1  0.71259962  0.17908051  0.54090170  1
  H  H36  1  0.78751169  0.67900633  0.04090169  1
  H  H37  1  0.28748025  0.82097274  0.45910262  1
  H  H38  1  0.14632655  0.16504844  0.87611452  1
  H  H39  1  0.64634337  0.33495761  0.62389558  1
  H  H40  1  0.85380219  0.83491791  0.12389738  1
  H  H41  1  0.35370230  0.66506973  0.37609789  1
  H  H42  1  0.55134709  0.41606012  0.10065808  1
  H  H43  1  0.05119623  0.08401271  0.39936688  1
  H  H44  1  0.44911245  0.58452595  0.89971683  1
  H  H45  1  0.94887916  0.91586581  0.60038475  1
  H  H46  1  0.72903272  0.44043306  0.00868517  1
  H  H47  1  0.22910446  0.05961379  0.49129087  1
  H  H48  1  0.27069498  0.55958924  0.99136180  1
  H  H49  1  0.77089716  0.94041500  0.50866699  1
  H  H50  1  0.79632402  0.26848393  0.10619399  1
  H  H51  1  0.29645339  0.23163848  0.39382777  1
  H  H52  1  0.20365200  0.73132512  0.89371260  1
  H  H53  1  0.70374649  0.76856696  0.60623436  1
  H  H54  1  0.69222948  0.13191539  0.03133318  1
  H  H55  1  0.19229623  0.36815201  0.46869627  1
  H  H56  1  0.30778536  0.86792046  0.96853121  1
  H  H57  1  0.80777051  0.63193233  0.53136312  1
  H  H58  1  0.79510543  0.31914190  0.80468493  1
  H  H59  1  0.29511201  0.18087805  0.69533250  1
  H  H60  1  0.20484251  0.68094740  0.19526822  1
  H  H61  1  0.70471238  0.81897259  0.30466690  1
  H  H62  1  0.68091317  0.17422931  0.75183128  1
  H  H63  1  0.18092030  0.32576837  0.74818718  1
  H  H64  1  0.31903053  0.82578942  0.24814644  1
  H  H65  1  0.81892671  0.67410777  0.25182286  1
  H  H66  1  0.98131353  0.36121824  0.04973712  1
  H  H67  1  0.48132681  0.13879530  0.45028522  1
  H  H68  1  0.01867084  0.63876663  0.95023858  1
  H  H69  1  0.51868275  0.86122953  0.54972725  1
  H  H70  1  0.96980950  0.35776211  0.91679453  1
  H  H71  1  0.46981965  0.14223807  0.58322330  1
  H  H72  1  0.03037690  0.64222986  0.08316637  1
  H  H73  1  0.53031822  0.85772415  0.41678733  1
  C  C74  1  0.82915006  0.12656890  0.85826460  1
  C  C75  1  0.32919148  0.37345131  0.64178026  1
  C  C76  1  0.17082847  0.87348526  0.14166173  1
  C  C77  1  0.67076255  0.62645424  0.35831784  1
  C  C78  1  0.13756890  0.23202524  0.95242733  1
  C  C79  1  0.63759820  0.26796784  0.54758633  1
  C  C80  1  0.86250203  0.76790821  0.04759123  1
  C  C81  1  0.36247044  0.73207019  0.45240446  1
  C  C82  1  0.67982377  0.33480471  0.99194177  1
  C  C83  1  0.17995478  0.16526596  0.50808036  1
  C  C84  1  0.31997018  0.66517116  0.00807055  1
  C  C85  1  0.82006353  0.83477054  0.49189473  1
  C  C86  1  0.75771726  0.22527995  0.02946902  1
  C  C87  1  0.25780484  0.27480022  0.47055125  1
  C  C88  1  0.24222818  0.77463185  0.97043750  1
  C  C89  1  0.74226022  0.72527300  0.52949592  1
  C  C90  1  0.73286461  0.23131056  0.82148048  1
  C  C91  1  0.23287339  0.26870874  0.67853332  1
  C  C92  1  0.26713071  0.76875038  0.17846873  1
  C  C93  1  0.76700957  0.73118634  0.32148243  1
  C  C94  1  0.98847109  0.29298073  0.97237510  1
  C  C95  1  0.48849828  0.20702239  0.52764735  1
  C  C96  1  0.01158442  0.70700047  0.02760397  1
  C  C97  1  0.51156416  0.79297177  0.47236751  1
  N  N98  1  0.88160285  0.17768782  0.96250094  1
  N  N99  1  0.38166054  0.32234872  0.53754367  1
  N  N100  1  0.11837507  0.82232641  0.03740579  1
  N  N101  1  0.61834560  0.67762990  0.46257646  1
  N  N102  1  0.17494540  0.14300179  0.02109513  1
  N  N103  1  0.67494529  0.35699877  0.47891661  1
  N  N104  1  0.82513618  0.85690586  0.97890054  1
  N  N105  1  0.32510769  0.64308388  0.52110358  1
  N  N106  1  0.62190042  0.29238969  0.89607950  1
  N  N107  1  0.12193983  0.20765866  0.60390390  1
  N  N108  1  0.37807151  0.70759626  0.10388590  1
  N  N109  1  0.87800040  0.79236689  0.39602818  1
  O  O110  1  0.04484408  0.95674677  0.86938768  1
  O  O111  1  0.54483694  0.54326691  0.63065574  1
  O  O112  1  0.95462779  0.04349151  0.13034066  1
  O  O113  1  0.45457674  0.45639157  0.36970806  1
  O  O114  1  0.00017249  0.97278424  0.65925525  1
  O  O115  1  0.50007240  0.52731578  0.84080679  1
  O  O116  1  0.99986774  0.02709658  0.34051860  1
  O  O117  1  0.49990363  0.47289998  0.15949387  1
  O  O118  1  0.90707933  0.39837087  0.64385198  1
  O  O119  1  0.40698529  0.10163947  0.85607498  1
  O  O120  1  0.09306593  0.60169491  0.35605604  1
  O  O121  1  0.59313005  0.89828325  0.14393849  1
  O  O122  1  0.04763054  0.66414699  0.67740139  1
  O  O123  1  0.54776759  0.83594974  0.82264853  1
  O  O124  1  0.95258156  0.33590651  0.32269492  1
  O  O125  1  0.45262041  0.16407889  0.17727886  1
  O  O126  1  0.29259055  0.85799190  0.70881666  1
  O  O127  1  0.79251971  0.64185173  0.79125375  1
  O  O128  1  0.70743607  0.14184279  0.29138639  1
  O  O129  1  0.20745107  0.35819370  0.20862427  1
  O  O130  1  0.04374513  0.50545960  0.82978957  1
  O  O131  1  0.54375885  0.99450453  0.67018142  1
  O  O132  1  0.95610860  0.49447418  0.17021873  1
  O  O133  1  0.45613126  0.00551673  0.32975807  1
