# generated using pymatgen
data_V2Fe2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37629160
_cell_length_b   9.73134923
_cell_length_c   13.67242024
_cell_angle_alpha   103.41856485
_cell_angle_beta   90.00000961
_cell_angle_gamma   90.00012355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Fe2NiH32C12(NO2)6
_chemical_formula_sum   'V4 Fe4 Ni2 H64 C24 N12 O24'
_cell_volume   1213.46933855
_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
  V  V0  1  0.09111874  0.85877380  0.72711039  1
  V  V1  1  0.59112067  0.64122042  0.77288952  1
  V  V2  1  0.90888032  0.14122635  0.27288906  1
  V  V3  1  0.40887877  0.35878025  0.22711144  1
  Fe  Fe4  1  0.94101857  0.55010978  0.72944464  1
  Fe  Fe5  1  0.44101754  0.94988426  0.77055674  1
  Fe  Fe6  1  0.05897828  0.44988975  0.27055236  1
  Fe  Fe7  1  0.55897880  0.05011605  0.22944540  1
  Ni  Ni8  1  0.00000005  1.00000143  1.00000034  1
  Ni  Ni9  1  0.50000086  0.49999939  0.49999987  1
  H  H10  1  0.18609031  0.19100412  0.08859435  1
  H  H11  1  0.68609002  0.30899631  0.41140480  1
  H  H12  1  0.81391307  0.80899725  0.91140602  1
  H  H13  1  0.31391437  0.69100353  0.58859531  1
  H  H14  1  0.27513739  0.09698647  0.99056384  1
  H  H15  1  0.77513802  0.40301413  0.50943470  1
  H  H16  1  0.72486283  0.90301488  0.00943466  1
  H  H17  1  0.22486332  0.59698511  0.49056737  1
  H  H18  1  0.58069458  0.38131440  0.87150792  1
  H  H19  1  0.08069726  0.11868085  0.62849355  1
  H  H20  1  0.41930396  0.61868701  0.12849367  1
  H  H21  1  0.91930117  0.88131806  0.37150436  1
  H  H22  1  0.47337590  0.17835247  0.88863480  1
  H  H23  1  -0.02662509  0.32164093  0.61136684  1
  H  H24  1  0.52662338  0.82164796  0.11136186  1
  H  H25  1  1.02662647  0.67835821  0.38863629  1
  H  H26  1  0.75840803  0.03153170  0.85415864  1
  H  H27  1  0.25840799  0.46846640  0.64584290  1
  H  H28  1  0.24159606  0.96847126  0.14583974  1
  H  H29  1  0.74159657  0.53153063  0.35415894  1
  H  H30  1  0.91024136  0.08931490  0.79794267  1
  H  H31  1  0.41024198  0.41068449  0.70206026  1
  H  H32  1  0.08976036  0.91069052  0.20205885  1
  H  H33  1  0.58976102  0.58930958  0.29793856  1
  H  H34  1  0.20695097  0.32939062  0.97071977  1
  H  H35  1  0.70695113  0.17060924  0.52927900  1
  H  H36  1  0.79305090  0.67060971  0.02927953  1
  H  H37  1  0.29305170  0.82939096  0.47072174  1
  H  H38  1  0.16615536  0.18078124  0.87347298  1
  H  H39  1  0.66615794  0.31921784  0.62652660  1
  H  H40  1  0.83384168  0.81922005  0.12652791  1
  H  H41  1  0.33383997  0.68078095  0.37347294  1
  H  H42  1  0.58775790  0.36872280  0.04693370  1
  H  H43  1  0.08775936  0.13127585  0.45306793  1
  H  H44  1  0.41223936  0.63127675  0.95306681  1
  H  H45  1  0.91223877  0.86872614  0.54693141  1
  H  H46  1  0.74473488  0.43899900  0.00685064  1
  H  H47  1  0.24473687  0.06100066  0.49315087  1
  H  H48  1  0.25526291  0.56100284  0.99315276  1
  H  H49  1  0.75526180  0.93899857  0.50684576  1
  H  H50  1  0.80203414  0.26031411  0.10281927  1
  H  H51  1  0.30203402  0.23968740  0.39718272  1
  H  H52  1  0.19796325  0.73968583  0.89718164  1
  H  H53  1  0.69796424  0.76031383  0.60281650  1
  H  H54  1  0.69528435  0.13208452  0.02365592  1
  H  H55  1  0.19528408  0.36791480  0.47634702  1
  H  H56  1  0.30471486  0.86791505  0.97634354  1
  H  H57  1  0.80471654  0.63208701  0.52365434  1
  H  H58  1  0.80720756  0.31919725  0.80116113  1
  H  H59  1  0.30721088  0.18080007  0.69883936  1
  H  H60  1  0.19279138  0.68080716  0.19883938  1
  H  H61  1  0.69278953  0.81919405  0.30115906  1
  H  H62  1  0.68365692  0.18446074  0.74978951  1
  H  H63  1  0.18365863  0.31553467  0.75021208  1
  H  H64  1  0.31634454  0.81554186  0.25021078  1
  H  H65  1  0.81634493  0.68446120  0.24978782  1
  H  H66  1  0.96229557  0.42633245  0.10421909  1
  H  H67  1  0.46229493  0.07366605  0.39577864  1
  H  H68  1  0.03770660  0.57365957  0.89577966  1
  H  H69  1  0.53770598  0.92634056  0.60422147  1
  H  H70  1  0.96568569  0.37174481  0.92948057  1
  H  H71  1  0.46568744  0.12825538  0.57052085  1
  H  H72  1  0.03431185  0.62825769  0.07052225  1
  H  H73  1  0.53431124  0.87174225  0.42947585  1
  C  C74  1  0.82443334  0.12389013  0.85257379  1
  C  C75  1  0.32443406  0.37610841  0.64742884  1
  C  C76  1  0.17556870  0.87611458  0.14742759  1
  C  C77  1  0.67556872  0.62388625  0.35257031  1
  C  C78  1  0.14031044  0.23360942  0.95205940  1
  C  C79  1  0.64031156  0.26639057  0.54794024  1
  C  C80  1  0.85968923  0.76639216  0.04794165  1
  C  C81  1  0.35968882  0.73360809  0.45205914  1
  C  C82  1  0.67935952  0.34199056  0.99566746  1
  C  C83  1  0.17936062  0.15800867  0.50433439  1
  C  C84  1  0.32063886  0.65801087  0.00433368  1
  C  C85  1  0.82063822  0.84199130  0.49566433  1
  C  C86  1  0.76246886  0.22460305  0.02596059  1
  C  C87  1  0.26246939  0.27539698  0.47404170  1
  C  C88  1  0.23752955  0.77539776  0.97404046  1
  C  C89  1  0.73752995  0.72460303  0.52595766  1
  C  C90  1  0.73738342  0.23707303  0.81968100  1
  C  C91  1  0.23738518  0.26292370  0.68032040  1
  C  C92  1  0.26261728  0.76293055  0.18031955  1
  C  C93  1  0.76261657  0.73707194  0.31967871  1
  C  C94  1  0.99033385  0.27676701  0.95801593  1
  C  C95  1  0.49033474  0.22323334  0.54198525  1
  C  C96  1  0.00966567  0.72323576  0.04198706  1
  C  C97  1  0.50966585  0.77676429  0.45801168  1
  N  N98  1  0.88320843  0.17581547  0.95615859  1
  N  N99  1  0.38320951  0.32418464  0.54384380  1
  N  N100  1  0.11679058  0.82418633  0.04384326  1
  N  N101  1  0.61679074  0.67581407  0.45615469  1
  N  N102  1  0.17573302  0.13541339  0.01509214  1
  N  N103  1  0.67573383  0.36458664  0.48490739  1
  N  N104  1  0.82426775  0.86458768  0.98490825  1
  N  N105  1  0.32426829  0.63541302  0.51509313  1
  N  N106  1  0.62921808  0.29737622  0.89303178  1
  N  N107  1  0.12921974  0.20261970  0.60696977  1
  N  N108  1  0.37078194  0.70262486  0.10696867  1
  N  N109  1  0.87078088  0.79737938  0.39302937  1
  O  O110  1  0.05441735  0.90428454  0.85409046  1
  O  O111  1  0.55442275  0.59571245  0.64590887  1
  O  O112  1  0.94558352  0.09571604  0.14590933  1
  O  O113  1  0.44558005  0.40428685  0.35409140  1
  O  O114  1  0.01018258  0.97323366  0.66817705  1
  O  O115  1  0.51017973  0.52675938  0.83181939  1
  O  O116  1  0.98981674  0.02676783  0.33182271  1
  O  O117  1  0.48981967  0.47324162  0.16818210  1
  O  O118  1  0.89596924  0.39381578  0.62466166  1
  O  O119  1  0.39596966  0.10617778  0.87534043  1
  O  O120  1  0.10402753  0.60617885  0.37533936  1
  O  O121  1  0.60402598  0.89382659  0.12465824  1
  O  O122  1  0.03456721  0.68449801  0.67174093  1
  O  O123  1  0.53457227  0.81549781  0.82825875  1
  O  O124  1  0.96542713  0.31550428  0.32825716  1
  O  O125  1  0.46542489  0.18450207  0.17174249  1
  O  O126  1  0.27777759  0.85692890  0.70452918  1
  O  O127  1  0.77777809  0.64306066  0.79547397  1
  O  O128  1  0.72222148  0.14306929  0.29546956  1
  O  O129  1  0.22222093  0.35693960  0.20452768  1
  O  O130  1  0.04205902  0.49655096  0.83511877  1
  O  O131  1  0.54205549  1.00344938  0.66488411  1
  O  O132  1  0.95794287  0.50344288  0.16487239  1
  O  O133  1  0.45794351  -0.00344399  0.33512232  1
