# generated using pymatgen
data_V2Ni3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35489968
_cell_length_b   9.70389630
_cell_length_c   13.64138472
_cell_angle_alpha   103.42689642
_cell_angle_beta   90.00002444
_cell_angle_gamma   90.00012574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Ni3H32C12(NO2)6
_chemical_formula_sum   'V4 Ni6 H64 C24 N12 O24'
_cell_volume   1204.50307136
_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  0.09196466  0.85892865  0.72927621  1
  V  V1  1  0.59197172  0.64106618  0.77072147  1
  V  V2  1  0.90803138  0.14107340  0.27072395  1
  V  V3  1  0.40802584  0.35893382  0.22927954  1
  Ni  Ni4  1  0.93847119  0.55021949  0.73159168  1
  Ni  Ni5  1  0.43846732  0.94977221  0.76841413  1
  Ni  Ni6  1  0.06152609  0.44978134  0.26840565  1
  Ni  Ni7  1  0.56152864  0.05022546  0.23158838  1
  Ni  Ni8  1  -0.00000028  1.00000051  1.00000074  1
  Ni  Ni9  1  0.50000009  0.49999963  0.49999975  1
  H  H10  1  0.18966161  0.19416027  0.08670515  1
  H  H11  1  0.68965501  0.30583804  0.41329135  1
  H  H12  1  0.81033939  0.80584094  0.91329538  1
  H  H13  1  0.31034809  0.69416237  0.58670886  1
  H  H14  1  0.27536899  0.09525651  0.98685634  1
  H  H15  1  0.77536520  0.40474794  0.51313365  1
  H  H16  1  0.72463165  0.90474612  0.01314429  1
  H  H17  1  0.22463651  0.59524927  0.48686795  1
  H  H18  1  0.58173775  0.38410072  0.87041411  1
  H  H19  1  0.08173941  0.11589302  0.62958669  1
  H  H20  1  0.41826301  0.61590076  0.12958686  1
  H  H21  1  0.91826170  0.88410529  0.37041117  1
  H  H22  1  0.47276641  0.16814964  0.88578870  1
  H  H23  1  -0.02723476  0.33184198  0.61421816  1
  H  H24  1  0.52723398  0.83185363  0.11421082  1
  H  H25  1  1.02723455  0.66815420  0.38578131  1
  H  H26  1  0.76245072  0.02900207  0.85311862  1
  H  H27  1  0.26244681  0.47099513  0.64688406  1
  H  H28  1  0.23755385  0.97099845  0.14687941  1
  H  H29  1  0.73755944  0.52900471  0.35311893  1
  H  H30  1  0.91260341  0.09128164  0.79842679  1
  H  H31  1  0.41260012  0.40871871  0.70157813  1
  H  H32  1  0.08740158  0.90872446  0.20157657  1
  H  H33  1  0.58740616  0.59127359  0.29841826  1
  H  H34  1  0.20657380  0.33036845  0.96920981  1
  H  H35  1  0.70657347  0.16963170  0.53078724  1
  H  H36  1  0.79342589  0.66963146  0.03078921  1
  H  H37  1  0.29342632  0.83036730  0.46921235  1
  H  H38  1  0.17377617  0.18049221  0.87150672  1
  H  H39  1  0.67377914  0.31950728  0.62849122  1
  H  H40  1  0.82622381  0.81950571  0.12849377  1
  H  H41  1  0.32622262  0.68049204  0.37150814  1
  H  H42  1  0.58317491  0.36804913  0.04703955  1
  H  H43  1  0.08317638  0.13194457  0.45295938  1
  H  H44  1  0.41682316  0.63195090  0.95296029  1
  H  H45  1  0.91682249  0.86805505  0.54703909  1
  H  H46  1  0.73938693  0.44302674  0.01022167  1
  H  H47  1  0.23939103  0.05697298  0.48978027  1
  H  H48  1  0.26061147  0.55697515  0.98978102  1
  H  H49  1  0.76060881  0.94302563  0.51021540  1
  H  H50  1  0.80117778  0.26414540  0.10364874  1
  H  H51  1  0.30117790  0.23585735  0.39635444  1
  H  H52  1  0.19881891  0.73585532  0.89635355  1
  H  H53  1  0.69881982  0.76414359  0.60364304  1
  H  H54  1  0.69675117  0.13348366  0.02425970  1
  H  H55  1  0.19674781  0.36651527  0.47574373  1
  H  H56  1  0.30324816  0.86651692  0.97574091  1
  H  H57  1  0.80325267  0.63348529  0.52425599  1
  H  H58  1  0.80604427  0.31646928  0.79797304  1
  H  H59  1  0.30604650  0.18352880  0.70202763  1
  H  H60  1  0.19395766  0.68353704  0.20203018  1
  H  H61  1  0.69395626  0.81646319  0.29796765  1
  H  H62  1  0.68019078  0.18073143  0.75062792  1
  H  H63  1  0.18018805  0.31926406  0.74937305  1
  H  H64  1  0.31981542  0.81927291  0.24937203  1
  H  H65  1  0.81981926  0.68072931  0.25062642  1
  H  H66  1  0.97375180  0.42625994  0.10718183  1
  H  H67  1  0.47376118  0.07373802  0.39281999  1
  H  H68  1  0.02624166  0.57373385  0.89282340  1
  H  H69  1  0.52622976  0.92627078  0.60717283  1
  H  H70  1  0.96798035  0.37379706  0.92663611  1
  H  H71  1  0.46798560  0.12620586  0.57336861  1
  H  H72  1  0.03201787  0.62620150  0.07336144  1
  H  H73  1  0.53201337  0.87379702  0.42663587  1
  C  C74  1  0.82552636  0.12392974  0.85276772  1
  C  C75  1  0.32552444  0.37606951  0.64723536  1
  C  C76  1  0.17447648  0.87607338  0.14723350  1
  C  C77  1  0.67447923  0.62392691  0.35276353  1
  C  C78  1  0.14191598  0.23288367  0.94914471  1
  C  C79  1  0.64191682  0.26711683  0.55085335  1
  C  C80  1  0.85808364  0.76711621  0.05085527  1
  C  C81  1  0.35808338  0.73288230  0.44914646  1
  C  C82  1  0.67646108  0.34368947  0.99616397  1
  C  C83  1  0.17646170  0.15630774  0.50383729  1
  C  C84  1  0.32353832  0.65631161  0.00383728  1
  C  C85  1  0.82353847  0.84369136  0.49616036  1
  C  C86  1  0.76233197  0.22740768  0.02639840  1
  C  C87  1  0.26233043  0.27259246  0.47360446  1
  C  C88  1  0.23766719  0.77259330  0.97360303  1
  C  C89  1  0.73766971  0.72740748  0.52639383  1
  C  C90  1  0.73642854  0.23590028  0.81917589  1
  C  C91  1  0.23642826  0.26409632  0.68082574  1
  C  C92  1  0.26357467  0.76410332  0.18082537  1
  C  C93  1  0.76357579  0.73589887  0.31917226  1
  C  C94  1  0.99177006  0.27712890  0.95544926  1
  C  C95  1  0.49177066  0.22287360  0.54455269  1
  C  C96  1  0.00822967  0.72287362  0.04455164  1
  C  C97  1  0.50822963  0.77712372  0.45544676  1
  N  N98  1  0.88347643  0.17905595  0.95627858  1
  N  N99  1  0.38347567  0.32094547  0.54372488  1
  N  N100  1  0.11652342  0.82094604  0.04372383  1
  N  N101  1  0.61652498  0.67905255  0.45627274  1
  N  N102  1  0.17704448  0.13635674  0.01349315  1
  N  N103  1  0.67704285  0.36364271  0.48650342  1
  N  N104  1  0.82295542  0.86364467  0.98650785  1
  N  N105  1  0.32295811  0.63635647  0.51349654  1
  N  N106  1  0.62979732  0.29976702  0.89274166  1
  N  N107  1  0.12979767  0.20022817  0.60725978  1
  N  N108  1  0.37020417  0.70023460  0.10725907  1
  N  N109  1  0.87020439  0.79976977  0.39273833  1
  O  O110  1  0.05640800  0.90957997  0.85863664  1
  O  O111  1  0.55641928  0.59041759  0.64136028  1
  O  O112  1  0.94359122  0.09042177  0.14136422  1
  O  O113  1  0.44358030  0.40958100  0.35864029  1
  O  O114  1  0.00855180  0.97097424  0.66683517  1
  O  O115  1  0.50855544  0.52901631  0.83315687  1
  O  O116  1  0.99144545  0.02903095  0.33316684  1
  O  O117  1  0.49144341  0.47098383  0.16684497  1
  O  O118  1  0.88896080  0.39590927  0.62734104  1
  O  O119  1  0.38896552  0.10407689  0.87267223  1
  O  O120  1  0.11104012  0.60408849  0.37265687  1
  O  O121  1  0.61103594  0.89592490  0.12732944  1
  O  O122  1  0.03689680  0.68464340  0.67813723  1
  O  O123  1  0.53690217  0.81534979  0.82186278  1
  O  O124  1  0.96309529  0.31536077  0.32186011  1
  O  O125  1  0.46309493  0.18464993  0.17814005  1
  O  O126  1  0.27649426  0.85447279  0.70302553  1
  O  O127  1  0.77650009  0.64552221  0.79697736  1
  O  O128  1  0.72350125  0.14552745  0.29697367  1
  O  O129  1  0.22349701  0.35447830  0.20302345  1
  O  O130  1  0.03427891  0.48876537  0.83798873  1
  O  O131  1  0.53426247  1.01123447  0.66201331  1
  O  O132  1  0.96571763  0.51123521  0.16200972  1
  O  O133  1  0.46573102  -0.01123450  0.33798834  1
