# generated using pymatgen
data_VCr2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36063910
_cell_length_b   9.71674774
_cell_length_c   13.65750130
_cell_angle_alpha   103.42578837
_cell_angle_beta   90.00000198
_cell_angle_gamma   90.00013271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Ni2H32C12(NO2)6
_chemical_formula_sum   'V2 Cr4 Ni4 H64 C24 N12 O24'
_cell_volume   1208.26962589
_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
  Cr  Cr0  1  0.09485735  0.86189831  0.73401036  1
  Cr  Cr1  1  0.59486014  0.63809672  0.76598973  1
  Cr  Cr2  1  0.90514145  0.13810112  0.26598884  1
  Cr  Cr3  1  0.40513879  0.36190531  0.23401184  1
  Ni  Ni4  1  0.94630651  0.54588954  0.72919141  1
  Ni  Ni5  1  0.44630571  0.95410496  0.77081094  1
  Ni  Ni6  1  0.05369230  0.45411282  0.27081071  1
  Ni  Ni7  1  0.55369205  0.04589473  0.22918561  1
  V  V8  1  -0.00000002  0.99999973  0.99999962  1
  V  V9  1  0.50000056  0.50000030  0.50000050  1
  H  H10  1  0.19885862  0.19332192  0.08695624  1
  H  H11  1  0.69885523  0.30667534  0.41304014  1
  H  H12  1  0.80114085  0.80667783  0.91304388  1
  H  H13  1  0.30114613  0.69332534  0.58696045  1
  H  H14  1  0.28375935  0.10119117  0.98106101  1
  H  H15  1  0.78375672  0.39881088  0.51892931  1
  H  H16  1  0.71623925  0.89880721  0.01894178  1
  H  H17  1  0.21624367  0.60119028  0.48107016  1
  H  H18  1  0.58137079  0.37772327  0.86712176  1
  H  H19  1  0.08137415  0.12227085  0.63287895  1
  H  H20  1  0.41862900  0.62227771  0.13287895  1
  H  H21  1  0.91862550  0.87772839  0.36711969  1
  H  H22  1  0.47331567  0.16404465  0.89983071  1
  H  H23  1  -0.02668492  0.33594622  0.60017489  1
  H  H24  1  0.52668298  0.83595581  0.10016420  1
  H  H25  1  1.02668514  0.66405435  0.39982949  1
  H  H26  1  0.76225084  0.03056979  0.85184020  1
  H  H27  1  0.26225144  0.46942729  0.64816264  1
  H  H28  1  0.23774892  0.96943170  0.14815967  1
  H  H29  1  0.73774902  0.53057068  0.35183811  1
  H  H30  1  0.91604037  0.09286183  0.79946014  1
  H  H31  1  0.41604235  0.40713546  0.70054079  1
  H  H32  1  0.08395894  0.90713858  0.20053904  1
  H  H33  1  0.58395764  0.59286351  0.29946036  1
  H  H34  1  0.20907675  0.33249619  0.97000097  1
  H  H35  1  0.70907545  0.16750118  0.52999568  1
  H  H36  1  0.79092357  0.66750391  0.02999880  1
  H  H37  1  0.29092677  0.83249852  0.47000426  1
  H  H38  1  0.16397282  0.18490491  0.87258959  1
  H  H39  1  0.66398245  0.31509453  0.62740834  1
  H  H40  1  0.83602849  0.81509405  0.12741010  1
  H  H41  1  0.33602012  0.68490546  0.37259230  1
  H  H42  1  0.58233556  0.36487172  0.04207354  1
  H  H43  1  0.08233825  0.13512353  0.45792702  1
  H  H44  1  0.41766425  0.63512698  0.95792676  1
  H  H45  1  0.91766201  0.86487955  0.54207189  1
  H  H46  1  0.73979783  0.43901807  0.00598202  1
  H  H47  1  0.23980235  0.06097998  0.49401926  1
  H  H48  1  0.26020123  0.56098218  0.99401887  1
  H  H49  1  0.76019646  0.93902020  0.50597915  1
  H  H50  1  0.79770580  0.26511409  0.10245664  1
  H  H51  1  0.29770462  0.23488634  0.39754452  1
  H  H52  1  0.20229560  0.73488543  0.89754294  1
  H  H53  1  0.70229788  0.76511407  0.60245600  1
  H  H54  1  0.69292927  0.13226551  0.02435438  1
  H  H55  1  0.19292811  0.36773125  0.47564877  1
  H  H56  1  0.30707208  0.86773317  0.97564533  1
  H  H57  1  0.80707531  0.63227109  0.52435160  1
  H  H58  1  0.81116516  0.31982854  0.80166377  1
  H  H59  1  0.31116862  0.18016740  0.69833633  1
  H  H60  1  0.18883507  0.68017338  0.19833708  1
  H  H61  1  0.68883263  0.81982804  0.30166049  1
  H  H62  1  0.68921877  0.18319446  0.74713959  1
  H  H63  1  0.18922229  0.31679991  0.75286188  1
  H  H64  1  0.31078157  0.81680790  0.25286006  1
  H  H65  1  0.81078055  0.68319414  0.24713893  1
  H  H66  1  0.96901367  0.42143161  0.10324838  1
  H  H67  1  0.46901419  0.07857078  0.39675019  1
  H  H68  1  0.03098515  0.57857423  0.89675377  1
  H  H69  1  0.53098400  0.92142411  0.60324723  1
  H  H70  1  0.96504111  0.37342208  0.93109702  1
  H  H71  1  0.46504385  0.12657760  0.56890424  1
  H  H72  1  0.03496010  0.62657899  0.06890276  1
  H  H73  1  0.53495888  0.87342066  0.43109643  1
  C  C74  1  0.82736797  0.12434523  0.85215905  1
  C  C75  1  0.32736922  0.37565210  0.64784254  1
  C  C76  1  0.17263173  0.87565562  0.14784041  1
  C  C77  1  0.67263156  0.62434599  0.35215853  1
  C  C78  1  0.14174723  0.23721456  0.95184983  1
  C  C79  1  0.64175048  0.26278499  0.54814926  1
  C  C80  1  0.85825343  0.76278478  0.04815004  1
  C  C81  1  0.35825173  0.73721524  0.45185110  1
  C  C82  1  0.67593007  0.34052459  0.99284617  1
  C  C83  1  0.17593223  0.15947193  0.50715514  1
  C  C84  1  0.32406977  0.65947539  0.00715411  1
  C  C85  1  0.82406740  0.84052891  0.49284438  1
  C  C86  1  0.75946546  0.22515360  0.02549737  1
  C  C87  1  0.25946572  0.27484467  0.47450418  1
  C  C88  1  0.24053526  0.77484589  0.97450244  1
  C  C89  1  0.74053616  0.72515594  0.52549614  1
  C  C90  1  0.74049082  0.23655467  0.81808580  1
  C  C91  1  0.24049282  0.26344116  0.68191505  1
  C  C92  1  0.25950976  0.76344720  0.18191439  1
  C  C93  1  0.75950790  0.73655591  0.31808414  1
  C  C94  1  0.99124884  0.28009400  0.96152677  1
  C  C95  1  0.49125075  0.21990662  0.53847523  1
  C  C96  1  0.00875177  0.71990650  0.03847282  1
  C  C97  1  0.50875067  0.78009257  0.46152562  1
  N  N98  1  0.88308304  0.17586030  0.95706631  1
  N  N99  1  0.38308434  0.32413846  0.54293470  1
  N  N100  1  0.11691696  0.82414062  0.04293311  1
  N  N101  1  0.61691702  0.67586039  0.45706618  1
  N  N102  1  0.18227482  0.13704287  0.01387673  1
  N  N103  1  0.68227466  0.36295610  0.48612058  1
  N  N104  1  0.81772531  0.86295675  0.98612350  1
  N  N105  1  0.31772661  0.63704458  0.51388027  1
  N  N106  1  0.62901145  0.29448988  0.88955153  1
  N  N107  1  0.12901347  0.20550539  0.61044985  1
  N  N108  1  0.37098840  0.70551051  0.11044860  1
  N  N109  1  0.87098595  0.79449527  0.38955010  1
  O  O110  1  0.04788493  0.91932028  0.87090141  1
  O  O111  1  0.54788927  0.58067803  0.62909830  1
  O  O112  1  0.95211459  0.08067796  0.12909771  1
  O  O113  1  0.45211143  0.41932267  0.37090316  1
  O  O114  1  0.02042448  0.97689042  0.67777484  1
  O  O115  1  0.52042504  0.52310264  0.82222274  1
  O  O116  1  0.97957766  0.02311263  0.32222649  1
  O  O117  1  0.47957447  0.47689862  0.17777850  1
  O  O118  1  0.89882727  0.40991419  0.60939782  1
  O  O119  1  0.39883327  0.09007129  0.89061063  1
  O  O120  1  0.10116894  0.59008206  0.39060815  1
  O  O121  1  0.60116107  0.90993363  0.10938185  1
  O  O122  1  0.03513435  0.69859548  0.68129248  1
  O  O123  1  0.53513808  0.80139925  0.81870679  1
  O  O124  1  0.96485863  0.30140618  0.31870541  1
  O  O125  1  0.46485951  0.19860303  0.18129322  1
  O  O126  1  0.27314467  0.85452913  0.71464464  1
  O  O127  1  0.77314628  0.64546470  0.78535800  1
  O  O128  1  0.72685403  0.14546418  0.28535529  1
  O  O129  1  0.22685268  0.35453919  0.21464337  1
  O  O130  1  0.03853733  0.49557136  0.84026278  1
  O  O131  1  0.53853040  1.00442662  0.65973876  1
  O  O132  1  0.96146401  0.50443458  0.15973933  1
  O  O133  1  0.46146005  -0.00442842  0.34025669  1
