# generated using pymatgen
data_Mn2V2FeH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36881805
_cell_length_b   9.71768708
_cell_length_c   13.66613369
_cell_angle_alpha   103.36317301
_cell_angle_beta   89.99993053
_cell_angle_gamma   90.00021330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2V2FeH32C12(NO2)6
_chemical_formula_sum   'Mn4 V4 Fe2 H64 C24 N12 O24'
_cell_volume   1210.52170086
_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
  Mn  Mn0  1  0.10014013  0.86087177  0.73377623  1
  Mn  Mn1  1  0.60017373  0.63917308  0.76619105  1
  Mn  Mn2  1  0.89967879  0.13926316  0.26607626  1
  Mn  Mn3  1  0.39967699  0.36081066  0.23387940  1
  V  V4  1  0.95425214  0.56501675  0.71880222  1
  V  V5  1  0.45424656  0.93502874  0.78126679  1
  V  V6  1  0.04567487  0.43488896  0.28125359  1
  V  V7  1  0.54571112  0.06516060  0.21881604  1
  Fe  Fe8  1  0.00008487  0.99983772  1.00001173  1
  Fe  Fe9  1  0.50003992  0.50002546  0.49996029  1
  H  H10  1  0.19328556  0.19810240  0.09310948  1
  H  H11  1  0.69326082  0.30193951  0.40692964  1
  H  H12  1  0.80663813  0.80180308  0.90696339  1
  H  H13  1  0.30659252  0.69821212  0.59306471  1
  H  H14  1  0.27280618  0.09844649  0.99132839  1
  H  H15  1  0.77270536  0.40162045  0.50873184  1
  H  H16  1  0.72734003  0.90154274  0.00880492  1
  H  H17  1  0.22725399  0.59848894  0.49123369  1
  H  H18  1  0.53306308  0.45439457  0.85214656  1
  H  H19  1  0.03293274  0.04547034  0.64763778  1
  H  H20  1  0.46711596  0.54553677  0.14788369  1
  H  H21  1  0.96695860  0.95429596  0.35185316  1
  H  H22  1  0.54231946  0.22155075  0.88626270  1
  H  H23  1  0.04241198  0.27844926  0.61381610  1
  H  H24  1  0.45765006  0.77845475  0.11377320  1
  H  H25  1  0.95770458  0.72157455  0.38627005  1
  H  H26  1  0.77458543  0.03425987  0.85154582  1
  H  H27  1  0.27463905  0.46572171  0.64843506  1
  H  H28  1  0.22546489  0.96576174  0.14843654  1
  H  H29  1  0.72554280  0.53422491  0.35153456  1
  H  H30  1  0.92533661  0.10901932  0.80677641  1
  H  H31  1  0.42541270  0.39097739  0.69322036  1
  H  H32  1  0.07469858  0.89100208  0.19325698  1
  H  H33  1  0.57478561  0.60891460  0.30669891  1
  H  H34  1  0.21439512  0.32810508  0.96551207  1
  H  H35  1  0.71441234  0.17184708  0.53439979  1
  H  H36  1  0.78571308  0.67170816  0.03449866  1
  H  H37  1  0.28572400  0.82825014  0.46543830  1
  H  H38  1  0.14986583  0.17857039  0.87742139  1
  H  H39  1  0.64994182  0.32126107  0.62261424  1
  H  H40  1  0.85014171  0.82123937  0.12264337  1
  H  H41  1  0.35018250  0.67861309  0.37738415  1
  H  H42  1  0.58484923  0.37010317  0.05199455  1
  H  H43  1  0.08479157  0.13021974  0.44820132  1
  H  H44  1  0.41517893  0.62994635  0.94806533  1
  H  H45  1  0.91512232  0.87031296  0.55207256  1
  H  H46  1  0.73986413  0.43334486  0.00301277  1
  H  H47  1  0.23982548  0.06660151  0.49698725  1
  H  H48  1  0.26013528  0.56669449  0.99698676  1
  H  H49  1  0.76004156  0.93323845  0.50300248  1
  H  H50  1  0.79457073  0.26190254  0.10558597  1
  H  H51  1  0.29455744  0.23806759  0.39441838  1
  H  H52  1  0.20544565  0.73820239  0.89443929  1
  H  H53  1  0.70542480  0.76171183  0.60554883  1
  H  H54  1  0.69121176  0.13035690  0.02530167  1
  H  H55  1  0.19127729  0.36970286  0.47471172  1
  H  H56  1  0.30877496  0.86974457  0.97472781  1
  H  H57  1  0.80883440  0.63026767  0.52524343  1
  H  H58  1  0.80229655  0.32911145  0.80992601  1
  H  H59  1  0.30239730  0.17090284  0.69012432  1
  H  H60  1  0.19765623  0.67091452  0.19011600  1
  H  H61  1  0.69769807  0.82908790  0.30991663  1
  H  H62  1  0.69360365  0.18462186  0.75057396  1
  H  H63  1  0.19372092  0.31541716  0.74948409  1
  H  H64  1  0.30635674  0.81538776  0.24946747  1
  H  H65  1  0.80643912  0.68466542  0.25056511  1
  H  H66  1  0.98173391  0.36011309  0.05525411  1
  H  H67  1  0.48172064  0.13980791  0.44475040  1
  H  H68  1  0.01838167  0.63979701  0.94481159  1
  H  H69  1  0.51837283  0.86010511  0.55518092  1
  H  H70  1  0.96810110  0.36539844  0.92364782  1
  H  H71  1  0.46807968  0.13454245  0.57636486  1
  H  H72  1  0.03204946  0.63456622  0.07641841  1
  H  H73  1  0.53202595  0.86537012  0.42358226  1
  C  C74  1  0.83423717  0.13298940  0.85747494  1
  C  C75  1  0.33429505  0.36700037  0.64253639  1
  C  C76  1  0.16580112  0.86703235  0.14254998  1
  C  C77  1  0.66585775  0.63294370  0.35743450  1
  C  C78  1  0.13926426  0.23909043  0.95532906  1
  C  C79  1  0.63926019  0.26084537  0.54467972  1
  C  C80  1  0.86080214  0.76075369  0.04472169  1
  C  C81  1  0.36078473  0.73918048  0.45528233  1
  C  C82  1  0.67239098  0.33915245  0.99646085  1
  C  C83  1  0.17244034  0.16088999  0.50363262  1
  C  C84  1  0.32761709  0.66088592  0.00356224  1
  C  C85  1  0.82761509  0.83912816  0.49649117  1
  C  C86  1  0.75844659  0.22357197  0.02829450  1
  C  C87  1  0.25844203  0.27643892  0.47172237  1
  C  C88  1  0.24160390  0.77647881  0.97173527  1
  C  C89  1  0.74159559  0.72349587  0.52826132  1
  C  C90  1  0.73812047  0.24031982  0.82326359  1
  C  C91  1  0.23821338  0.25969525  0.67679616  1
  C  C92  1  0.26186134  0.75969078  0.17677282  1
  C  C93  1  0.76191606  0.74032263  0.32326347  1
  C  C94  1  0.98960980  0.29742618  0.97654358  1
  C  C95  1  0.48961121  0.20249937  0.52346195  1
  C  C96  1  0.01047648  0.70249360  0.02350997  1
  C  C97  1  0.51047489  0.79742126  0.47647902  1
  N  N98  1  0.88318875  0.18046663  0.96276343  1
  N  N99  1  0.38320989  0.31947509  0.53724168  1
  N  N100  1  0.11685565  0.81948882  0.03726852  1
  N  N101  1  0.61687031  0.68044360  0.46270601  1
  N  N102  1  0.17707933  0.14290257  0.01988980  1
  N  N103  1  0.67700496  0.35710233  0.48015274  1
  N  N104  1  0.82298144  0.85695323  0.98017588  1
  N  N105  1  0.32290508  0.64302923  0.51985570  1
  N  N106  1  0.62280521  0.29626953  0.89288146  1
  N  N107  1  0.12288516  0.20373868  0.60722046  1
  N  N108  1  0.37718839  0.70372856  0.10715703  1
  N  N109  1  0.87722167  0.79629065  0.39291797  1
  O  O110  1  0.06600960  0.94773924  0.86781673  1
  O  O111  1  0.56612064  0.55279991  0.63207273  1
  O  O112  1  0.93309040  0.05301681  0.13190274  1
  O  O113  1  0.43318993  0.44755759  0.36799682  1
  O  O114  1  -0.02082029  0.96477513  0.66339346  1
  O  O115  1  0.47918260  0.53485082  0.83615037  1
  O  O116  1  1.02087515  0.03458473  0.33565268  1
  O  O117  1  0.52091812  0.46502810  0.16386936  1
  O  O118  1  0.90717129  0.41720670  0.63141688  1
  O  O119  1  0.40725832  0.08289799  0.86863391  1
  O  O120  1  0.09277219  0.58280586  0.36853937  1
  O  O121  1  0.59287140  0.91730982  0.13149225  1
  O  O122  1  0.06074439  0.67528932  0.65798255  1
  O  O123  1  0.56074811  0.82471381  0.84204366  1
  O  O124  1  0.93930064  0.32467010  0.34218987  1
  O  O125  1  0.43930971  0.17534045  0.15787012  1
  O  O126  1  0.30056675  0.83019836  0.73161030  1
  O  O127  1  0.80063029  0.66987952  0.76853059  1
  O  O128  1  0.69920249  0.17012678  0.26869694  1
  O  O129  1  0.19922646  0.32996474  0.23143649  1
  O  O130  1  0.04323455  0.52080405  0.81549054  1
  O  O131  1  0.54315582  0.97918397  0.68453544  1
  O  O132  1  0.95659128  0.47891817  0.18454509  1
  O  O133  1  0.45661141  0.02104772  0.31549665  1
