# generated using pymatgen
data_V4FeH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40106324
_cell_length_b   9.76623452
_cell_length_c   13.72733057
_cell_angle_alpha   103.40181852
_cell_angle_beta   90.00000531
_cell_angle_gamma   90.00012741
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4FeH32C12(NO2)6
_chemical_formula_sum   'V8 Fe2 H64 C24 N12 O24'
_cell_volume   1226.02612451
_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  0.10016579  0.86311940  0.73116346  1
  V  V1  1  0.60016803  0.63687514  0.76883725  1
  V  V2  1  0.89983318  0.13688104  0.26883670  1
  V  V3  1  0.39983182  0.36312467  0.23116393  1
  V  V4  1  0.95312180  0.55729612  0.72107329  1
  V  V5  1  0.45312175  0.94269698  0.77892808  1
  V  V6  1  0.04687811  0.44270361  0.27892791  1
  V  V7  1  0.54687815  0.05730195  0.22107084  1
  Fe  Fe8  1  -0.00000095  0.99999994  1.00000005  1
  Fe  Fe9  1  0.50000035  0.50000049  0.49999993  1
  H  H10  1  0.19086101  0.19897703  0.08642383  1
  H  H11  1  0.69085908  0.30102250  0.41357404  1
  H  H12  1  0.80913886  0.80102415  0.91357608  1
  H  H13  1  0.30914223  0.69897665  0.58642581  1
  H  H14  1  0.27689162  0.10497558  0.98699996  1
  H  H15  1  0.77689274  0.39502365  0.51299716  1
  H  H16  1  0.72310739  0.89502381  0.01300017  1
  H  H17  1  0.22310883  0.60497611  0.48700338  1
  H  H18  1  0.57507676  0.38088110  0.86536604  1
  H  H19  1  0.07508029  0.11911215  0.63463450  1
  H  H20  1  0.42492251  0.61911921  0.13463453  1
  H  H21  1  0.92491942  0.88088869  0.36536481  1
  H  H22  1  0.54601416  0.21518010  0.88338720  1
  H  H23  1  0.04601535  0.28481304  0.61661430  1
  H  H24  1  0.45398564  0.78482001  0.11661263  1
  H  H25  1  0.95398474  0.71518810  0.38338595  1
  H  H26  1  0.77525372  0.04001319  0.84975367  1
  H  H27  1  0.27525329  0.45998408  0.65024808  1
  H  H28  1  0.22474601  0.95998735  0.15024502  1
  H  H29  1  0.72474832  0.54001691  0.34975345  1
  H  H30  1  0.92683549  0.11412398  0.80537120  1
  H  H31  1  0.42683701  0.38587264  0.69463006  1
  H  H32  1  0.07316358  0.88587545  0.19462781  1
  H  H33  1  0.57316450  0.61412613  0.30537123  1
  H  H34  1  0.21324381  0.33450746  0.96457112  1
  H  H35  1  0.71324450  0.16549225  0.53542786  1
  H  H36  1  0.78675667  0.66549205  0.03542804  1
  H  H37  1  0.28675611  0.83450730  0.46457297  1
  H  H38  1  0.14983119  0.18886127  0.87304905  1
  H  H39  1  0.64983297  0.31113905  0.62694988  1
  H  H40  1  0.85016897  0.81113776  0.12695061  1
  H  H41  1  0.35016769  0.68886121  0.37305072  1
  H  H42  1  0.57773375  0.37180807  0.04205355  1
  H  H43  1  0.07773680  0.12818226  0.45794740  1
  H  H44  1  0.42226700  0.62819088  0.95794633  1
  H  H45  1  0.92226153  0.87182032  0.54205165  1
  H  H46  1  0.73437516  0.43983888  -0.00200309  1
  H  H47  1  0.23438122  0.06015817  0.50200542  1
  H  H48  1  0.26562441  0.56016090  1.00200351  1
  H  H49  1  0.76561697  0.93984345  0.49799330  1
  H  H50  1  0.79251349  0.26984619  0.10241140  1
  H  H51  1  0.29251250  0.23015301  0.39758977  1
  H  H52  1  0.20748741  0.73015317  0.89758779  1
  H  H53  1  0.70748838  0.76984917  0.60241107  1
  H  H54  1  0.69097197  0.13650124  0.02186815  1
  H  H55  1  0.19096930  0.36349424  0.47813418  1
  H  H56  1  0.30902886  0.86349792  0.97813123  1
  H  H57  1  0.80903205  0.63650811  0.52186679  1
  H  H58  1  0.80401063  0.33793107  0.81195282  1
  H  H59  1  0.30401307  0.16206562  0.68804817  1
  H  H60  1  0.19598802  0.66207002  0.18804713  1
  H  H61  1  0.69598626  0.83793420  0.31195179  1
  H  H62  1  0.69900092  0.19474347  0.74497408  1
  H  H63  1  0.19900287  0.30525145  0.75502685  1
  H  H64  1  0.30099791  0.80525797  0.25502571  1
  H  H65  1  0.80099662  0.69474746  0.24497312  1
  H  H66  1  0.98230788  0.36119962  0.05163682  1
  H  H67  1  0.48230706  0.13879986  0.44836370  1
  H  H68  1  0.01769179  0.63880066  0.94836199  1
  H  H69  1  0.51769323  0.86120113  0.55163679  1
  H  H70  1  0.96804414  0.37166276  0.92326235  1
  H  H71  1  0.46804580  0.12833651  0.57673801  1
  H  H72  1  0.03195654  0.62833666  0.07673639  1
  H  H73  1  0.53195434  0.87166329  0.42326211  1
  C  C74  1  0.83465582  0.13835036  0.85493428  1
  C  C75  1  0.33465604  0.36164630  0.64506597  1
  C  C76  1  0.16534393  0.86164982  0.14506427  1
  C  C77  1  0.66534375  0.63835272  0.35493428  1
  C  C78  1  0.13962662  0.24458130  0.95183176  1
  C  C79  1  0.63962788  0.25541895  0.54816759  1
  C  C80  1  0.86037319  0.75541843  0.04816799  1
  C  C81  1  0.36037325  0.74458093  0.45183297  1
  C  C82  1  0.67099270  0.34432460  0.99382808  1
  C  C83  1  0.17099676  0.15567047  0.50617359  1
  C  C84  1  0.32900674  0.65567519  0.00617215  1
  C  C85  1  0.82900506  0.84433105  0.49382663  1
  C  C86  1  0.75695064  0.23018387  0.02506217  1
  C  C87  1  0.25695058  0.26981315  0.47493997  1
  C  C88  1  0.24305005  0.76981563  0.97493820  1
  C  C89  1  0.74305028  0.73018830  0.52506101  1
  C  C90  1  0.74302329  0.24459835  0.81848909  1
  C  C91  1  0.24302425  0.25539878  0.68151253  1
  C  C92  1  0.25697617  0.75540278  0.18151021  1
  C  C93  1  0.75697561  0.74460065  0.31848683  1
  C  C94  1  0.98986630  0.30102580  0.97367256  1
  C  C95  1  0.48986702  0.19897432  0.52632811  1
  C  C96  1  0.01013395  0.69897426  0.02632625  1
  C  C97  1  0.51013382  0.80102619  0.47367237  1
  N  N98  1  0.88215560  0.18676102  0.96010863  1
  N  N99  1  0.38215574  0.31323825  0.53989239  1
  N  N100  1  0.11784443  0.81323927  0.03989018  1
  N  N101  1  0.61784509  0.68676254  0.46010840  1
  N  N102  1  0.17949356  0.14519433  0.01320755  1
  N  N103  1  0.67949408  0.35480487  0.48679050  1
  N  N104  1  0.82050600  0.85480540  0.98679203  1
  N  N105  1  0.32050695  0.64519520  0.51321044  1
  N  N106  1  0.62242562  0.29509745  0.88824468  1
  N  N107  1  0.12242826  0.20489577  0.61175592  1
  N  N108  1  0.37757379  0.70490206  0.11175521  1
  N  N109  1  0.87757065  0.79510561  0.38824374  1
  O  O110  1  0.05071381  0.90441092  0.85360457  1
  O  O111  1  0.55071929  0.59558611  0.64639485  1
  O  O112  1  0.94928368  0.09559045  0.14639524  1
  O  O113  1  0.44928176  0.40441322  0.35360582  1
  O  O114  1  0.02890489  0.97870842  0.67201125  1
  O  O115  1  0.52890305  0.52128564  0.82798687  1
  O  O116  1  0.97109567  0.02129253  0.32798807  1
  O  O117  1  0.47109541  0.47871443  0.17201387  1
  O  O118  1  0.91827749  0.41679176  0.62699592  1
  O  O119  1  0.41827996  0.08320126  0.87300709  1
  O  O120  1  0.08172158  0.58320771  0.37300476  1
  O  O121  1  0.58171887  0.91679849  0.12699182  1
  O  O122  1  0.04426777  0.68856206  0.66837402  1
  O  O123  1  0.54426931  0.81143205  0.83162675  1
  O  O124  1  0.95573000  0.31143814  0.33162640  1
  O  O125  1  0.45573030  0.18856795  0.16837370  1
  O  O126  1  0.29136637  0.86011335  0.71647892  1
  O  O127  1  0.79136828  0.63987895  0.78352432  1
  O  O128  1  0.70863274  0.13988457  0.28352139  1
  O  O129  1  0.20863156  0.36012037  0.21647715  1
  O  O130  1  0.05599479  0.50900392  0.80525732  1
  O  O131  1  0.55599222  0.99099039  0.69474411  1
  O  O132  1  0.94400506  0.49099678  0.19474273  1
  O  O133  1  0.44400644  0.00900766  0.30525498  1
