# generated using pymatgen
data_V3Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38678833
_cell_length_b   9.74393782
_cell_length_c   13.68211758
_cell_angle_alpha   103.47574181
_cell_angle_beta   90.00000644
_cell_angle_gamma   90.00012718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Fe2H32C12(NO2)6
_chemical_formula_sum   'V6 Fe4 H64 C24 N12 O24'
_cell_volume   1216.97166128
_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  0.09019393  0.86448070  0.73408704  1
  V  V1  1  0.59019622  0.63551668  0.76591285  1
  V  V2  1  0.90980633  0.13552073  0.26591309  1
  V  V3  1  0.40980447  0.36448199  0.23408739  1
  Fe  Fe4  1  0.94366731  0.54787522  0.72888819  1
  Fe  Fe5  1  0.44366654  0.95212102  0.77111235  1
  Fe  Fe6  1  0.05633296  0.45212501  0.27111231  1
  Fe  Fe7  1  0.55633360  0.04787810  0.22888759  1
  V  V8  1  0.00000003  0.99999984  1.00000027  1
  V  V9  1  0.50000081  0.50000114  0.50000000  1
  H  H10  1  0.19656129  0.19354943  0.08841349  1
  H  H11  1  0.69656031  0.30645018  0.41158566  1
  H  H12  1  0.80343909  0.80644779  0.91158604  1
  H  H13  1  0.30344091  0.69355362  0.58841456  1
  H  H14  1  0.27910511  0.10125294  0.98547641  1
  H  H15  1  0.77910531  0.39874854  0.51452242  1
  H  H16  1  0.72089125  0.89874782  0.01452181  1
  H  H17  1  0.22089269  0.60125036  0.48547956  1
  H  H18  1  0.57854718  0.37549838  0.87007829  1
  H  H19  1  0.07854981  0.12449700  0.62992222  1
  H  H20  1  0.42145196  0.62450302  0.12992241  1
  H  H21  1  0.92144933  0.87550226  0.37007700  1
  H  H22  1  0.47438471  0.17306693  0.89354762  1
  H  H23  1  -0.02561758  0.32692740  0.60645349  1
  H  H24  1  0.52562103  0.82692651  0.10644945  1
  H  H25  1  1.02562485  0.67307908  0.39354898  1
  H  H26  1  0.76021733  0.03041833  0.85248486  1
  H  H27  1  0.26021747  0.46957994  0.64751701  1
  H  H28  1  0.23978121  0.96958537  0.14751668  1
  H  H29  1  0.73978317  0.53041613  0.35248300  1
  H  H30  1  0.91279856  0.09217605  0.79906684  1
  H  H31  1  0.41280047  0.40782274  0.70093301  1
  H  H32  1  0.08719964  0.90782324  0.20093088  1
  H  H33  1  0.58720085  0.59217492  0.29906852  1
  H  H34  1  0.20657409  0.33386595  0.97300925  1
  H  H35  1  0.70657262  0.16613317  0.52698808  1
  H  H36  1  0.79342735  0.66613257  0.02698938  1
  H  H37  1  0.29343048  0.83386835  0.47301283  1
  H  H38  1  0.16092435  0.18723925  0.87471395  1
  H  H39  1  0.66092614  0.31275783  0.62528509  1
  H  H40  1  0.83907461  0.81275695  0.12528713  1
  H  H41  1  0.33907348  0.68724471  0.37471323  1
  H  H42  1  0.58672260  0.36653665  0.04510771  1
  H  H43  1  0.08672356  0.13346107  0.45489316  1
  H  H44  1  0.41327659  0.63346181  0.95489261  1
  H  H45  1  0.91327556  0.86654258  0.54510598  1
  H  H46  1  0.74402616  0.43507730  0.00439103  1
  H  H47  1  0.24402876  0.06492228  0.49560867  1
  H  H48  1  0.25597219  0.56492377  0.99561033  1
  H  H49  1  0.75596917  0.93507778  0.50438999  1
  H  H50  1  0.79865409  0.26073632  0.10277592  1
  H  H51  1  0.29865233  0.23926642  0.39722503  1
  H  H52  1  0.20134420  0.73926197  0.89722461  1
  H  H53  1  0.70134591  0.76073691  0.60277446  1
  H  H54  1  0.69197628  0.13048901  0.02412379  1
  H  H55  1  0.19197456  0.36951085  0.47587875  1
  H  H56  1  0.30802134  0.86951143  0.97587489  1
  H  H57  1  0.80802422  0.63049051  0.52412348  1
  H  H58  1  0.80843040  0.32133044  0.80564315  1
  H  H59  1  0.30843440  0.17866719  0.69435615  1
  H  H60  1  0.19157078  0.67867196  0.19435739  1
  H  H61  1  0.69156704  0.82132795  0.30564101  1
  H  H62  1  0.68972998  0.18600518  0.74775452  1
  H  H63  1  0.18973432  0.31398993  0.75224652  1
  H  H64  1  0.31026897  0.81399768  0.25224473  1
  H  H65  1  0.81026791  0.68600545  0.24775460  1
  H  H66  1  0.96191361  0.42535358  0.10194171  1
  H  H67  1  0.46191549  0.07465075  0.39805636  1
  H  H68  1  0.03808442  0.57465419  0.89805465  1
  H  H69  1  0.53808174  0.92534210  0.60194698  1
  H  H70  1  0.96039724  0.37079566  0.93279255  1
  H  H71  1  0.46039756  0.12920593  0.56720888  1
  H  H72  1  0.03960040  0.62920766  0.06721436  1
  H  H73  1  0.53960103  0.87079258  0.43278459  1
  C  C74  1  0.82555565  0.12373229  0.85262202  1
  C  C75  1  0.32555666  0.37626635  0.64737860  1
  C  C76  1  0.17444383  0.87626922  0.14737713  1
  C  C77  1  0.67444418  0.62373133  0.35262239  1
  C  C78  1  0.13931920  0.23892180  0.95414663  1
  C  C79  1  0.63932017  0.26107822  0.54585264  1
  C  C80  1  0.86067505  0.76107992  0.04585600  1
  C  C81  1  0.36067459  0.73891986  0.45414373  1
  C  C82  1  0.67788101  0.33884652  0.99417834  1
  C  C83  1  0.17788229  0.16115199  0.50582228  1
  C  C84  1  0.32211777  0.66115372  0.00582220  1
  C  C85  1  0.82211673  0.83884903  0.49417709  1
  C  C86  1  0.75972866  0.22235708  0.02594607  1
  C  C87  1  0.25972802  0.27764316  0.47405484  1
  C  C88  1  0.24027023  0.77764219  0.97405355  1
  C  C89  1  0.74027143  0.72235874  0.52594554  1
  C  C90  1  0.73854935  0.23665879  0.82001100  1
  C  C91  1  0.23855241  0.26333836  0.67998960  1
  C  C92  1  0.26145037  0.76334406  0.17998898  1
  C  C93  1  0.76144906  0.73665797  0.32001018  1
  C  C94  1  0.98912384  0.28068349  0.96482723  1
  C  C95  1  0.48912309  0.21931657  0.53517176  1
  C  C96  1  0.01087834  0.71931636  0.03517239  1
  C  C97  1  0.51088017  0.78068365  0.46482865  1
  N  N98  1  0.88267840  0.17304742  0.95751265  1
  N  N99  1  0.38267826  0.32695317  0.54248801  1
  N  N100  1  0.11732273  0.82695263  0.04248825  1
  N  N101  1  0.61732395  0.67304753  0.45751087  1
  N  N102  1  0.18001554  0.13783268  0.01535064  1
  N  N103  1  0.68001531  0.36216760  0.48464825  1
  N  N104  1  0.81998418  0.86216608  0.98465029  1
  N  N105  1  0.31998608  0.63783391  0.51535023  1
  N  N106  1  0.62655204  0.29216894  0.89171202  1
  N  N107  1  0.12655400  0.20782785  0.60828890  1
  N  N108  1  0.37344700  0.70783265  0.10828826  1
  N  N109  1  0.87344550  0.79217148  0.39171081  1
  O  O110  1  0.04835868  0.92089149  0.86904679  1
  O  O111  1  0.54836180  0.57910739  0.63095240  1
  O  O112  1  0.95164323  0.07911003  0.13095335  1
  O  O113  1  0.45164085  0.42089155  0.36904738  1
  O  O114  1  0.01500772  0.97748609  0.67440710  1
  O  O115  1  0.51500896  0.52251154  0.82559264  1
  O  O116  1  0.98498955  0.02251455  0.32559274  1
  O  O117  1  0.48498745  0.47748886  0.17440780  1
  O  O118  1  0.89961709  0.40192034  0.61743058  1
  O  O119  1  0.39961783  0.09807476  0.88257053  1
  O  O120  1  0.10038716  0.59808289  0.38256798  1
  O  O121  1  0.60038577  0.90192088  0.11743137  1
  O  O122  1  0.03060817  0.69563928  0.67918627  1
  O  O123  1  0.53061073  0.80435873  0.82081323  1
  O  O124  1  0.96939006  0.30436281  0.32081504  1
  O  O125  1  0.46938951  0.19564059  0.17918581  1
  O  O126  1  0.27342881  0.85765885  0.71268149  1
  O  O127  1  0.77342977  0.64233857  0.78731991  1
  O  O128  1  0.72657238  0.14234421  0.28731756  1
  O  O129  1  0.22657123  0.35765718  0.21268216  1
  O  O130  1  0.04514105  0.50158508  0.83501909  1
  O  O131  1  0.54513652  0.99841786  0.66498212  1
  O  O132  1  0.95485936  0.49841249  0.16498145  1
  O  O133  1  0.45486131  0.00158744  0.33501781  1
