# generated using pymatgen
data_V2Fe3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37157105
_cell_length_b   9.73317751
_cell_length_c   13.66741004
_cell_angle_alpha   103.50573342
_cell_angle_beta   90.00001612
_cell_angle_gamma   90.00013807
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Fe3H32C12(NO2)6
_chemical_formula_sum   'V4 Fe6 H64 C24 N12 O24'
_cell_volume   1212.20019652
_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  0.09081604  0.85638509  0.73051622  1
  Fe  Fe1  1  0.59079335  0.64362884  0.76948579  1
  Fe  Fe2  1  0.90907233  0.14378762  0.26951680  1
  Fe  Fe3  1  0.40904924  0.35623736  0.23048491  1
  V  V4  1  0.94483705  0.54555859  0.72968233  1
  V  V5  1  0.44484906  0.95444532  0.77031394  1
  V  V6  1  0.05513636  0.45447346  0.27030554  1
  V  V7  1  0.55514907  0.04554690  0.22968921  1
  Fe  Fe8  1  0.00009194  0.99986666  0.99999419  1
  Fe  Fe9  1  0.50011924  0.50013279  0.50001167  1
  H  H10  1  0.18930106  0.19895004  0.08983377  1
  H  H11  1  0.68927825  0.30105983  0.41016524  1
  H  H12  1  0.81075320  0.80097670  0.91022516  1
  H  H13  1  0.31074063  0.69902163  0.58977605  1
  H  H14  1  0.27704335  0.10254915  0.99012109  1
  H  H15  1  0.77703515  0.39745295  0.50986852  1
  H  H16  1  0.72314686  0.89745202  0.00997562  1
  H  H17  1  0.22314045  0.60254941  0.49001853  1
  H  H18  1  0.53335045  0.46586797  0.87648374  1
  H  H19  1  0.03334769  0.03412355  0.62351204  1
  H  H20  1  0.46660395  0.53416979  0.12371151  1
  H  H21  1  0.96657951  0.96583031  0.37627865  1
  H  H22  1  0.53561966  0.22801966  0.89507990  1
  H  H23  1  0.03562599  0.27197918  0.60492301  1
  H  H24  1  0.46442307  0.77202373  0.10493248  1
  H  H25  1  0.96443706  0.72799324  0.39506275  1
  H  H26  1  0.77008811  0.03560906  0.85243986  1
  H  H27  1  0.27011434  0.46438275  0.64756411  1
  H  H28  1  0.22993392  0.96441123  0.14757411  1
  H  H29  1  0.72995463  0.53558667  0.35241913  1
  H  H30  1  0.91743890  0.11300657  0.80596615  1
  H  H31  1  0.41744987  0.38698569  0.69404503  1
  H  H32  1  0.08258409  0.88708381  0.19408366  1
  H  H33  1  0.58259658  0.61290439  0.30591452  1
  H  H34  1  0.21302463  0.33055925  0.96620872  1
  H  H35  1  0.71304672  0.16942452  0.53376779  1
  H  H36  1  0.78700937  0.66922232  0.03379061  1
  H  H37  1  0.28703185  0.83076398  0.46619052  1
  H  H38  1  0.15294809  0.18254138  0.87458330  1
  H  H39  1  0.65298562  0.31741449  0.62541996  1
  H  H40  1  0.84696739  0.81713933  0.12547712  1
  H  H41  1  0.34699550  0.68282537  0.37452573  1
  H  H42  1  0.58546351  0.38305836  0.06210846  1
  H  H43  1  0.08546104  0.11693019  0.43789028  1
  H  H44  1  0.41475152  0.61656963  0.93776688  1
  H  H45  1  0.91477941  0.88346975  0.56226128  1
  H  H46  1  0.74551417  0.43561253  0.00332532  1
  H  H47  1  0.24549636  0.06437685  0.49667153  1
  H  H48  1  0.25456188  0.56428890  0.99665659  1
  H  H49  1  0.75456959  0.93570929  0.50336010  1
  H  H50  1  0.79829886  0.26518125  0.10765168  1
  H  H51  1  0.29832284  0.23480920  0.39235518  1
  H  H52  1  0.20172739  0.73469294  0.89237876  1
  H  H53  1  0.70174916  0.76528911  0.60762203  1
  H  H54  1  0.69045541  0.13583309  0.02921696  1
  H  H55  1  0.19048726  0.36416752  0.47078371  1
  H  H56  1  0.30955021  0.86418081  0.97076144  1
  H  H57  1  0.80957495  0.63580304  0.52923600  1
  H  H58  1  0.79259901  0.33173070  0.81358527  1
  H  H59  1  0.29260079  0.16826262  0.68642169  1
  H  H60  1  0.20739484  0.66831967  0.18644744  1
  H  H61  1  0.70738902  0.83168217  0.31355249  1
  H  H62  1  0.68061925  0.18791999  0.75536392  1
  H  H63  1  0.18062659  0.31207804  0.74463847  1
  H  H64  1  0.31939033  0.81210324  0.24466707  1
  H  H65  1  0.81939601  0.68791067  0.25533550  1
  H  H66  1  0.98243491  0.36136357  0.05174103  1
  H  H67  1  0.48244329  0.13862153  0.44826207  1
  H  H68  1  0.01761570  0.63853725  0.94829135  1
  H  H69  1  0.51762721  0.86144508  0.55171164  1
  H  H70  1  0.96903550  0.36275049  0.92000310  1
  H  H71  1  0.46905218  0.13722848  0.58000362  1
  H  H72  1  0.03108278  0.63715705  0.08004141  1
  H  H73  1  0.53109747  0.86283128  0.41996424  1
  C  C74  1  0.82797893  0.13507013  0.85839803  1
  C  C75  1  0.32799571  0.36491760  0.64160473  1
  C  C76  1  0.17203983  0.86494562  0.14162831  1
  C  C77  1  0.67205272  0.63505042  0.35837067  1
  C  C78  1  0.14000909  0.23986994  0.95319440  1
  C  C79  1  0.64002557  0.26011105  0.54680458  1
  C  C80  1  0.86000925  0.75992485  0.04685017  1
  C  C81  1  0.36002305  0.74005885  0.45314934  1
  C  C82  1  0.67586576  0.34379704  1.00015106  1
  C  C83  1  0.17586213  0.15620241  0.49984719  1
  C  C84  1  0.32416918  0.65616299  -0.00010073  1
  C  C85  1  0.82418307  0.84383591  0.50010630  1
  C  C86  1  0.75943034  0.22743656  0.03072332  1
  C  C87  1  0.25945087  0.27255952  0.46928099  1
  C  C88  1  0.24065617  0.77252009  0.96931168  1
  C  C89  1  0.74067746  0.72746438  0.53068693  1
  C  C90  1  0.72940895  0.24252804  0.82682709  1
  C  C91  1  0.22941193  0.25746364  0.67317520  1
  C  C92  1  0.27061970  0.75750437  0.17320876  1
  C  C93  1  0.77062228  0.74250427  0.32679367  1
  C  C94  1  0.98967763  0.29648746  0.97390786  1
  C  C95  1  0.48969153  0.20349215  0.52609726  1
  C  C96  1  0.01038136  0.70339168  0.02613119  1
  C  C97  1  0.51039464  0.79659125  0.47387127  1
  N  N98  1  0.88199229  0.18113987  0.96266306  1
  N  N99  1  0.38201424  0.31884642  0.53734157  1
  N  N100  1  0.11799849  0.81884236  0.03732228  1
  N  N101  1  0.61801637  0.68114150  0.46267783  1
  N  N102  1  0.17886737  0.14253863  0.01621786  1
  N  N103  1  0.67885395  0.35746340  0.48378667  1
  N  N104  1  0.82125271  0.85729729  0.98384598  1
  N  N105  1  0.32124264  0.64270196  0.51615671  1
  N  N106  1  0.61799261  0.30065000  0.89982027  1
  N  N107  1  0.11799289  0.19934587  0.60018169  1
  N  N108  1  0.38202423  0.69940837  0.10022832  1
  N  N109  1  0.88202793  0.80060319  0.39977247  1
  O  O110  1  0.03933554  0.92686720  0.86370494  1
  O  O111  1  0.53924839  0.57322857  0.63629614  1
  O  O112  1  0.95953403  0.07452247  0.13589382  1
  O  O113  1  0.45945179  0.42554282  0.36411289  1
  O  O114  1  -0.00820557  0.94531666  0.63580737  1
  O  O115  1  0.49179264  0.55466705  0.86417665  1
  O  O116  1  1.00828097  0.05443640  0.36381196  1
  O  O117  1  0.50828522  0.44555914  0.13618062  1
  O  O118  1  0.89916528  0.40586816  0.63446362  1
  O  O119  1  0.39916848  0.09415024  0.86551830  1
  O  O120  1  0.10090169  0.59419033  0.36548917  1
  O  O121  1  0.60090306  0.90584145  0.13449259  1
  O  O122  1  0.05019151  0.66433427  0.67782812  1
  O  O123  1  0.55019623  0.83569183  0.82219483  1
  O  O124  1  0.94977262  0.33582376  0.32226931  1
  O  O125  1  0.44977146  0.16420487  0.17774623  1
  O  O126  1  0.28917938  0.86272042  0.70980195  1
  O  O127  1  0.78916663  0.63728849  0.79018399  1
  O  O128  1  0.71069959  0.13733502  0.29031445  1
  O  O129  1  0.21068079  0.36269355  0.20966945  1
  O  O130  1  0.04005483  0.49038213  0.81836424  1
  O  O131  1  0.54008517  1.00960766  0.68163353  1
  O  O132  1  0.95985893  0.50968396  0.18166738  1
  O  O133  1  0.45988452  -0.00967398  0.31832838  1
