# generated using pymatgen
data_VNi4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38528988
_cell_length_b   9.72029270
_cell_length_c   13.64457902
_cell_angle_alpha   103.56234642
_cell_angle_beta   89.95423464
_cell_angle_gamma   90.01108857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi4H32C12(NO2)6
_chemical_formula_sum   'V2 Ni8 H64 C24 N12 O24'
_cell_volume   1210.05420287
_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  0.08543273  0.85411291  0.73805904  1
  Ni  Ni1  1  0.58714433  0.64599222  0.76685546  1
  Ni  Ni2  1  0.92024859  0.14109387  0.26541630  1
  Ni  Ni3  1  0.41167070  0.35364085  0.23275927  1
  Ni  Ni4  1  0.94133919  0.56449499  0.70886572  1
  Ni  Ni5  1  0.44256719  0.93740034  0.79057047  1
  Ni  Ni6  1  0.05790993  0.43330423  0.29004248  1
  Ni  Ni7  1  0.55815536  0.06285187  0.20950909  1
  V  V8  1  -0.00394915  1.00840714  0.99572040  1
  V  V9  1  0.49975650  0.49988295  0.49974665  1
  H  H10  1  0.18769070  0.28438255  0.15161952  1
  H  H11  1  0.69515501  0.21605851  0.34224826  1
  H  H12  1  0.81011325  0.71556069  0.84569686  1
  H  H13  1  0.30750363  0.78353238  0.65628290  1
  H  H14  1  0.25947242  0.13523643  0.99462095  1
  H  H15  1  0.76395959  0.36896605  0.49585177  1
  H  H16  1  0.73741536  0.86995409  -0.00193018  1
  H  H17  1  0.23571064  0.63055293  0.50369585  1
  H  H18  1  0.53715100  0.40862055  0.84233431  1
  H  H19  1  0.01913041  0.07487229  0.67652285  1
  H  H20  1  0.46326237  0.59174012  0.15889367  1
  H  H21  1  0.98355459  0.92037395  0.32727208  1
  H  H22  1  0.51715590  0.21341304  0.88138323  1
  H  H23  1  0.02135478  0.28178134  0.61406437  1
  H  H24  1  0.48300080  0.78655786  0.11991671  1
  H  H25  1  0.97843345  0.71637036  0.38605020  1
  H  H26  1  0.73407419  0.00634771  0.84813607  1
  H  H27  1  0.24260172  0.49527899  0.64411817  1
  H  H28  1  0.26334575  0.99253074  0.15307914  1
  H  H29  1  0.75612329  0.50456182  0.35593932  1
  H  H30  1  0.88566152  0.05580546  0.77078732  1
  H  H31  1  0.41786260  0.44868522  0.76598739  1
  H  H32  1  0.11401505  0.94108439  0.23113169  1
  H  H33  1  0.58255278  0.55033333  0.23470253  1
  H  H34  1  0.17762216  0.35001761  0.95880823  1
  H  H35  1  0.68428034  0.15741012  0.53277695  1
  H  H36  1  0.81671930  0.66066562  0.03517885  1
  H  H37  1  0.31496525  0.84186521  0.46639657  1
  H  H38  1  0.31426864  0.15220441  0.84830523  1
  H  H39  1  0.81252256  0.34928854  0.64848930  1
  H  H40  1  0.68777014  0.84845704  0.15021731  1
  H  H41  1  0.18689255  0.64849560  0.35129162  1
  H  H42  1  0.58446905  0.36342006  0.03638722  1
  H  H43  1  0.07741039  0.12898941  0.45514990  1
  H  H44  1  0.41487827  0.63409822  0.96519135  1
  H  H45  1  0.92328212  0.86969018  0.54553058  1
  H  H46  1  0.73760537  0.42252696  -0.01712843  1
  H  H47  1  0.23167149  0.06788612  0.50532339  1
  H  H48  1  0.26151333  0.57724735  1.02020601  1
  H  H49  1  0.76946198  0.93150306  0.49504487  1
  H  H50  1  0.80222802  0.24699596  0.08792240  1
  H  H51  1  0.29779067  0.23214500  0.39649024  1
  H  H52  1  0.19993414  0.75262071  0.91362558  1
  H  H53  1  0.70205591  0.76732602  0.60375004  1
  H  H54  1  0.68437114  0.12274741  0.01660877  1
  H  H55  1  0.18190757  0.36265848  0.46476617  1
  H  H56  1  0.31574846  0.87685710  0.98683116  1
  H  H57  1  0.81690794  0.63590478  0.53502944  1
  H  H58  1  0.77337902  0.28015843  0.77291329  1
  H  H59  1  0.28281588  0.21971727  0.71806333  1
  H  H60  1  0.22683461  0.71888027  0.22832699  1
  H  H61  1  0.71796000  0.78035179  0.28201020  1
  H  H62  1  0.61784230  0.09851305  0.72480675  1
  H  H63  1  0.12475254  0.42374170  0.78101645  1
  H  H64  1  0.38215940  0.90252347  0.27552769  1
  H  H65  1  0.87594082  0.57753618  0.21957082  1
  H  H66  1  0.86865856  0.43145782  0.14324863  1
  H  H67  1  0.38665743  0.04369428  0.36196533  1
  H  H68  1  0.12880893  0.57175551  0.85536342  1
  H  H69  1  0.61393141  0.95681756  0.63848661  1
  H  H70  1  0.93658862  0.35043566  0.89667304  1
  H  H71  1  0.44237376  0.14505246  0.58615891  1
  H  H72  1  0.05034272  0.65390401  0.10214587  1
  H  H73  1  0.55746900  0.85500096  0.41374909  1
  C  C74  1  0.79730180  0.09803592  0.83906182  1
  C  C75  1  0.29285588  0.39206440  0.64180935  1
  C  C76  1  0.20085915  0.90018824  0.16163087  1
  C  C77  1  0.70631240  0.60791836  0.35839591  1
  C  C78  1  0.10775153  0.26170059  0.96452531  1
  C  C79  1  0.61219686  0.24263402  0.52384684  1
  C  C80  1  0.88858505  0.74794871  0.03035931  1
  C  C81  1  0.38735687  0.75701382  0.47552969  1
  C  C82  1  0.67050633  0.32896619  0.98189562  1
  C  C83  1  0.16573826  0.16268383  0.50765024  1
  C  C84  1  0.32960178  0.66977992  0.02017608  1
  C  C85  1  0.83500669  0.83646012  0.49284806  1
  C  C86  1  0.75455398  0.21147345  0.01290098  1
  C  C87  1  0.25176166  0.27499194  0.47125119  1
  C  C88  1  0.24592066  0.78722967  0.98903877  1
  C  C89  1  0.74805983  0.72451961  0.52898878  1
  C  C90  1  0.71289642  0.20924072  0.80924723  1
  C  C91  1  0.22428591  0.28287262  0.67457788  1
  C  C92  1  0.28658633  0.78999296  0.19179793  1
  C  C93  1  0.77530910  0.71696223  0.32585342  1
  C  C94  1  0.97015477  0.26440644  0.93109149  1
  C  C95  1  0.47277677  0.23256381  0.55190042  1
  C  C96  1  0.02437659  0.74167695  0.06692007  1
  C  C97  1  0.52690395  0.76750472  0.44792326  1
  N  N98  1  0.86912076  0.15678765  0.93694230  1
  N  N99  1  0.36630924  0.33535919  0.54555792  1
  N  N100  1  0.13046218  0.84279682  0.06317223  1
  N  N101  1  0.63316530  0.66489285  0.45461707  1
  N  N102  1  0.15249205  0.15796536  0.00454652  1
  N  N103  1  0.65688270  0.34806176  0.48490529  1
  N  N104  1  0.84519065  0.85163814  0.98893406  1
  N  N105  1  0.34280820  0.65150791  0.51440565  1
  N  N106  1  0.61093492  0.28186057  0.87996879  1
  N  N107  1  0.11391696  0.21245805  0.61166817  1
  N  N108  1  0.38944422  0.71808479  0.12175767  1
  N  N109  1  0.88640840  0.78643967  0.38872877  1
  O  O110  1  0.07000293  0.90556724  0.88295074  1
  O  O111  1  0.55213856  0.57472911  0.62557567  1
  O  O112  1  0.95478144  0.08414354  0.12225121  1
  O  O113  1  0.44721202  0.42456298  0.37404518  1
  O  O114  1  -0.03749829  1.00373637  0.70092732  1
  O  O115  1  0.48222400  0.49054818  0.82233619  1
  O  O116  1  1.04140713  -0.00817264  0.30378055  1
  O  O117  1  0.51818135  0.50910851  0.17820495  1
  O  O118  1  0.89899776  0.38121697  0.62156240  1
  O  O119  1  0.39749114  0.12056948  0.87918994  1
  O  O120  1  0.10044489  0.61635352  0.37813376  1
  O  O121  1  0.60298785  0.87964829  0.12080822  1
  O  O122  1  0.05824106  0.67542551  0.65475517  1
  O  O123  1  0.55938908  0.82729490  0.84525678  1
  O  O124  1  0.94706046  0.32095029  0.34710484  1
  O  O125  1  0.44111911  0.17253503  0.15465568  1
  O  O126  1  0.28520399  0.87390186  0.70339321  1
  O  O127  1  0.78669082  0.62421912  0.80034842  1
  O  O128  1  0.71785906  0.12670765  0.29416128  1
  O  O129  1  0.21230969  0.37433361  0.19827104  1
  O  O130  1  0.06290275  0.49752916  0.82242522  1
  O  O131  1  0.55091826  1.02436250  0.68201247  1
  O  O132  1  0.93628757  0.50320591  0.17720485  1
  O  O133  1  0.44948004  -0.02349411  0.31805036  1
