# generated using pymatgen
data_V2Fe2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36642208
_cell_length_b   9.72349451
_cell_length_c   13.66086171
_cell_angle_alpha   103.46683996
_cell_angle_beta   90.00002536
_cell_angle_gamma   90.00014271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Fe2NiH32C12(NO2)6
_chemical_formula_sum   'V4 Fe4 Ni2 H64 C24 N12 O24'
_cell_volume   1209.94596362
_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
  Fe  Fe0  1  0.09139839  0.85823247  0.73182818  1
  Fe  Fe1  1  0.59136898  0.64178718  0.76816498  1
  Fe  Fe2  1  0.90855034  0.14185188  0.26814706  1
  Fe  Fe3  1  0.40852361  0.35817948  0.23185399  1
  V  V4  1  0.94778367  0.54588638  0.72963738  1
  V  V5  1  0.44779523  0.95412006  0.77037427  1
  V  V6  1  0.05220156  0.45412965  0.27037639  1
  V  V7  1  0.55220776  0.04589843  0.22963005  1
  Ni  Ni8  1  0.00001878  0.99994039  1.00000566  1
  Ni  Ni9  1  0.50005130  0.50006840  0.49998654  1
  H  H10  1  0.18778985  0.19681395  0.09035732  1
  H  H11  1  0.68778701  0.30318388  0.40965268  1
  H  H12  1  0.81229511  0.80313507  0.90971243  1
  H  H13  1  0.31230283  0.69685981  0.59030104  1
  H  H14  1  0.27744066  0.10123421  0.99143099  1
  H  H15  1  0.77744048  0.39874946  0.50857243  1
  H  H16  1  0.72271489  0.89873111  0.00866203  1
  H  H17  1  0.22270949  0.60125872  0.49134522  1
  H  H18  1  0.53186759  0.46056548  0.87163369  1
  H  H19  1  0.03186775  0.03942395  0.62833768  1
  H  H20  1  0.46808077  0.53952763  0.12851120  1
  H  H21  1  0.96807885  0.96048547  0.37148951  1
  H  H22  1  0.53769821  0.22401685  0.89357021  1
  H  H23  1  0.03770874  0.27598667  0.60642531  1
  H  H24  1  0.46230390  0.77603769  0.10640055  1
  H  H25  1  0.96231930  0.72398714  0.39360475  1
  H  H26  1  0.77635957  0.03353425  0.85252784  1
  H  H27  1  0.27639353  0.46645503  0.64747055  1
  H  H28  1  0.22356389  0.96652230  0.14750076  1
  H  H29  1  0.72359635  0.53347616  0.35248836  1
  H  H30  1  0.92323554  0.11280519  0.80749262  1
  H  H31  1  0.42325148  0.38716179  0.69250878  1
  H  H32  1  0.07674312  0.88710519  0.19246974  1
  H  H33  1  0.57676853  0.61288804  0.30752227  1
  H  H34  1  0.21448551  0.32934052  0.96552230  1
  H  H35  1  0.71449629  0.17064490  0.53446397  1
  H  H36  1  0.78558313  0.67050631  0.03451098  1
  H  H37  1  0.28560019  0.82948486  0.46548284  1
  H  H38  1  0.15334960  0.18059630  0.87503774  1
  H  H39  1  0.65335503  0.31936297  0.62496922  1
  H  H40  1  0.84669398  0.81920058  0.12502683  1
  H  H41  1  0.34669191  0.68076097  0.37498344  1
  H  H42  1  0.58424773  0.38427618  0.06248430  1
  H  H43  1  0.08425700  0.11572228  0.43751609  1
  H  H44  1  0.41579423  0.61563617  0.93752089  1
  H  H45  1  0.91578853  0.88436902  0.56247146  1
  H  H46  1  0.74521138  0.43255316  0.00326033  1
  H  H47  1  0.24521666  0.06743719  0.49674304  1
  H  H48  1  0.25473289  0.56744566  0.99676447  1
  H  H49  1  0.75471269  0.93255096  0.50323386  1
  H  H50  1  0.79957382  0.25913270  0.10734960  1
  H  H51  1  0.29958513  0.24084944  0.39264960  1
  H  H52  1  0.20045450  0.74063520  0.89259614  1
  H  H53  1  0.70046059  0.75933364  0.60739957  1
  H  H54  1  0.69333305  0.13090173  0.02730074  1
  H  H55  1  0.19335134  0.36908748  0.47270045  1
  H  H56  1  0.30662417  0.86905219  0.97257041  1
  H  H57  1  0.80665712  0.63094716  0.52742128  1
  H  H58  1  0.79449702  0.32890887  0.81187520  1
  H  H59  1  0.29449294  0.17107842  0.68812547  1
  H  H60  1  0.20549843  0.67112745  0.18808637  1
  H  H61  1  0.70550523  0.82887559  0.31191417  1
  H  H62  1  0.68395454  0.18366951  0.75519896  1
  H  H63  1  0.18395505  0.31634046  0.74479315  1
  H  H64  1  0.31602257  0.81639258  0.24477998  1
  H  H65  1  0.81604701  0.68362415  0.25521799  1
  H  H66  1  0.98436413  0.35963142  0.05323658  1
  H  H67  1  0.48437732  0.14033437  0.44676301  1
  H  H68  1  0.01566928  0.64024142  0.94677867  1
  H  H69  1  0.51568725  0.85972230  0.55322231  1
  H  H70  1  0.97125646  0.36454074  0.92195735  1
  H  H71  1  0.47126612  0.13543711  0.57804595  1
  H  H72  1  0.02889812  0.63540019  0.07806623  1
  H  H73  1  0.52890679  0.86458158  0.42193611  1
  C  C74  1  0.83243384  0.13401966  0.85872197  1
  C  C75  1  0.33245333  0.36596221  0.64127687  1
  C  C76  1  0.16753195  0.86600309  0.14123313  1
  C  C77  1  0.66755657  0.63399157  0.35875808  1
  C  C78  1  0.14116875  0.23861053  0.95359208  1
  C  C79  1  0.64117303  0.26136997  0.54640827  1
  C  C80  1  0.85887773  0.76124712  0.04645942  1
  C  C81  1  0.35888139  0.73873506  0.45354170  1
  C  C82  1  0.67522617  0.34113362  1.00039080  1
  C  C83  1  0.17523562  0.15885682  0.49960818  1
  C  C84  1  0.32469866  0.65887236  -0.00036041  1
  C  C85  1  0.82469091  0.84113284  0.50035803  1
  C  C86  1  0.76063767  0.22421752  0.03031312  1
  C  C87  1  0.26065312  0.27576912  0.46968708  1
  C  C88  1  0.23932317  0.77573756  0.96963092  1
  C  C89  1  0.73933762  0.72425085  0.53036445  1
  C  C90  1  0.73227283  0.23983654  0.82638865  1
  C  C91  1  0.23227979  0.26015479  0.67361266  1
  C  C92  1  0.26770546  0.76022181  0.17359235  1
  C  C93  1  0.76772075  0.73978403  0.32640622  1
  C  C94  1  0.99110469  0.29622025  0.97492302  1
  C  C95  1  0.49111314  0.20375436  0.52507549  1
  C  C96  1  0.00894817  0.70368921  0.02509097  1
  C  C97  1  0.50895778  0.79628562  0.47490644  1
  N  N98  1  0.88330858  0.18198191  0.96276082  1
  N  N99  1  0.38332684  0.31799950  0.53723863  1
  N  N100  1  0.11663802  0.81803777  0.03719131  1
  N  N101  1  0.61665532  0.68194001  0.46280019  1
  N  N102  1  0.17959706  0.14233321  0.01652196  1
  N  N103  1  0.67959466  0.35766186  0.48348439  1
  N  N104  1  0.82052087  0.85756446  0.98355733  1
  N  N105  1  0.32051941  0.64243069  0.51644847  1
  N  N106  1  0.62019498  0.29712417  0.89913388  1
  N  N107  1  0.12019948  0.20287301  0.60086355  1
  N  N108  1  0.37979858  0.70293411  0.10085573  1
  N  N109  1  0.87980556  0.79708140  0.39914635  1
  O  O110  1  0.04532553  0.92064088  0.86383369  1
  O  O111  1  0.54524760  0.57952247  0.63615682  1
  O  O112  1  0.95421758  0.08010752  0.13599907  1
  O  O113  1  0.45411599  0.41999663  0.36401387  1
  O  O114  1  -0.00956780  0.94897674  0.63787868  1
  O  O115  1  0.49040110  0.55099625  0.86208682  1
  O  O116  1  1.00967047  0.05080343  0.36183161  1
  O  O117  1  0.50967060  0.44921244  0.13817519  1
  O  O118  1  0.90470266  0.40412866  0.63473925  1
  O  O119  1  0.40468973  0.09588776  0.86525863  1
  O  O120  1  0.09537707  0.59589697  0.36524811  1
  O  O121  1  0.59535948  0.90413615  0.13475039  1
  O  O122  1  0.05075637  0.66552133  0.67714132  1
  O  O123  1  0.55073404  0.83448719  0.82289721  1
  O  O124  1  0.94927984  0.33452391  0.32295155  1
  O  O125  1  0.44926437  0.16550618  0.17707095  1
  O  O126  1  0.29042326  0.86680156  0.71053883  1
  O  O127  1  0.79040251  0.63321810  0.78944767  1
  O  O128  1  0.70952480  0.13325238  0.28954289  1
  O  O129  1  0.20950638  0.36678065  0.21044169  1
  O  O130  1  0.04462247  0.49267895  0.81894823  1
  O  O131  1  0.54466849  1.00731622  0.68107761  1
  O  O132  1  0.95527846  0.50735868  0.18111763  1
  O  O133  1  0.45530999  -0.00733463  0.31890007  1
