# generated using pymatgen
data_VFe2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36183915
_cell_length_b   9.71513489
_cell_length_c   13.63840975
_cell_angle_alpha   103.61622356
_cell_angle_beta   89.99991575
_cell_angle_gamma   89.99998957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Ni2H32C12(NO2)6
_chemical_formula_sum   'V2 Fe4 Ni4 H64 C24 N12 O24'
_cell_volume   1205.57106214
_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
  Ni  Ni0  1  0.10368024  0.83342055  0.73739196  1
  Ni  Ni1  1  0.60370176  0.66656568  0.76260833  1
  Ni  Ni2  1  0.89629564  0.16656585  0.26259650  1
  Ni  Ni3  1  0.39631510  0.33342293  0.23739198  1
  Fe  Fe4  1  0.93732518  0.55061904  0.72928473  1
  Fe  Fe5  1  0.43729567  0.94934660  0.77066866  1
  Fe  Fe6  1  0.06269643  0.44935577  0.27069851  1
  Fe  Fe7  1  0.56268907  0.05064051  0.22932543  1
  V  V8  1  -0.00000272  0.99999383  0.99999388  1
  V  V9  1  0.50001138  0.49999401  0.50000299  1
  H  H10  1  0.18041620  0.21326241  0.09633164  1
  H  H11  1  0.68045131  0.28673433  0.40370883  1
  H  H12  1  0.81958020  0.78671940  0.90365815  1
  H  H13  1  0.31957331  0.71325792  0.59630819  1
  H  H14  1  0.27399065  0.10680921  1.00308095  1
  H  H15  1  0.77406093  0.39316122  0.49694241  1
  H  H16  1  0.72600155  0.89317488  -0.00309732  1
  H  H17  1  0.22598240  0.60681825  0.50306790  1
  H  H18  1  0.57218700  0.44144859  0.85741847  1
  H  H19  1  0.07211702  0.05861447  0.64265487  1
  H  H20  1  0.42782902  0.55855894  0.14258945  1
  H  H21  1  0.92784692  0.94141258  0.35735267  1
  H  H22  1  0.45735073  0.18822990  0.88560281  1
  H  H23  1  -0.04257571  0.31182785  0.61443480  1
  H  H24  1  0.54263356  0.81178170  0.11439421  1
  H  H25  1  1.04259516  0.68818269  0.38557611  1
  H  H26  1  0.73338903  0.02641017  0.85814154  1
  H  H27  1  0.23348026  0.47365866  0.64185695  1
  H  H28  1  0.26659218  0.97360040  0.14185887  1
  H  H29  1  0.76655581  0.52636198  0.35814412  1
  H  H30  1  0.88866037  0.06251586  0.79368555  1
  H  H31  1  0.38871179  0.43750446  0.70631893  1
  H  H32  1  0.11132556  0.93747444  0.20630729  1
  H  H33  1  0.61130562  0.56249059  0.29368682  1
  H  H34  1  0.19941491  0.32886836  0.96600969  1
  H  H35  1  0.69942343  0.17114560  0.53406629  1
  H  H36  1  0.80057504  0.67113405  0.03400877  1
  H  H37  1  0.30057770  0.82885812  0.46596997  1
  H  H38  1  0.17396364  0.16980573  0.87416453  1
  H  H39  1  0.67385089  0.33021519  0.62588735  1
  H  H40  1  0.82606152  0.83021117  0.12583247  1
  H  H41  1  0.32609616  0.66979320  0.37413600  1
  H  H42  1  0.53685237  0.42292280  0.10844118  1
  H  H43  1  0.03686254  0.07705063  0.39153284  1
  H  H44  1  0.46315379  0.57707924  0.89155803  1
  H  H45  1  0.96313238  0.92296018  0.60844910  1
  H  H46  1  0.69948532  0.45505126  0.03498905  1
  H  H47  1  0.19947372  0.04497596  0.46503780  1
  H  H48  1  0.30053227  0.54494237  0.96500793  1
  H  H49  1  0.80050691  0.95505559  0.53497798  1
  H  H50  1  0.80448483  0.27078844  0.09740623  1
  H  H51  1  0.30441634  0.22924631  0.40262780  1
  H  H52  1  0.19552310  0.72921394  0.90259165  1
  H  H53  1  0.69555649  0.77075034  0.59738775  1
  H  H54  1  0.68698998  0.14476735  0.02604518  1
  H  H55  1  0.18696455  0.35530004  0.47397240  1
  H  H56  1  0.31300890  0.85523817  0.97394986  1
  H  H57  1  0.81302820  0.64472081  0.52603057  1
  H  H58  1  0.80504591  0.28487201  0.77437748  1
  H  H59  1  0.30501812  0.21513707  0.72562759  1
  H  H60  1  0.19495437  0.71511996  0.22561547  1
  H  H61  1  0.69495600  0.78485313  0.27436959  1
  H  H62  1  0.65347316  0.17520823  0.75428491  1
  H  H63  1  0.15351570  0.32492189  0.74574191  1
  H  H64  1  0.34651352  0.82480569  0.24571375  1
  H  H65  1  0.84649875  0.67513684  0.25428049  1
  H  H66  1  0.97433352  0.43220812  0.10237245  1
  H  H67  1  0.47428358  0.06782107  0.39767451  1
  H  H68  1  0.02567321  0.56781080  0.89762125  1
  H  H69  1  0.52569632  0.93218063  0.60231830  1
  H  H70  1  0.96180106  0.35795130  0.91367429  1
  H  H71  1  0.46177906  0.14202042  0.58627727  1
  H  H72  1  0.03820682  0.64203187  0.08630446  1
  H  H73  1  0.53821869  0.85798070  0.41372005  1
  C  C74  1  0.80784060  0.10998924  0.84931156  1
  C  C75  1  0.30788375  0.39004562  0.65069646  1
  C  C76  1  0.19214970  0.89001054  0.15068314  1
  C  C77  1  0.69213057  0.60996152  0.34930905  1
  C  C78  1  0.13787557  0.22963134  0.94914269  1
  C  C79  1  0.63786848  0.27037623  0.55088702  1
  C  C80  1  0.86212479  0.77036545  0.05085380  1
  C  C81  1  0.36212967  0.72962641  0.44912501  1
  C  C82  1  0.69456969  0.34833137  0.98488807  1
  C  C83  1  0.19456012  0.15169488  0.51514891  1
  C  C84  1  0.30543283  0.65166652  0.01511006  1
  C  C85  1  0.80542500  0.84832589  0.48487201  1
  C  C86  1  0.76047534  0.23157485  0.02196543  1
  C  C87  1  0.26042651  0.26847547  0.47806877  1
  C  C88  1  0.23952942  0.76842598  0.97803279  1
  C  C89  1  0.73955356  0.73153918  0.52194527  1
  C  C90  1  0.73001749  0.22644848  0.81258775  1
  C  C91  1  0.23002915  0.27361166  0.68743423  1
  C  C92  1  0.26997651  0.77355399  0.18740888  1
  C  C93  1  0.76996308  0.72641468  0.31257833  1
  C  C94  1  0.98630041  0.26605095  0.94645077  1
  C  C95  1  0.48628745  0.23393617  0.55351573  1
  C  C96  1  0.01370071  0.73393940  0.05353725  1
  C  C97  1  0.51370892  0.76606038  0.44647566  1
  N  N98  1  0.87733858  0.16627598  0.94997053  1
  N  N99  1  0.37733945  0.33373920  0.55003295  1
  N  N100  1  0.12265918  0.83371971  0.05002291  1
  N  N101  1  0.62266101  0.66626364  0.44997000  1
  N  N102  1  0.17263146  0.14492447  0.02227868  1
  N  N103  1  0.67268488  0.35507554  0.47775841  1
  N  N104  1  0.82736139  0.85505849  0.97770963  1
  N  N105  1  0.32735125  0.64491792  0.52225492  1
  N  N106  1  0.65383719  0.32732431  0.89205635  1
  N  N107  1  0.15388517  0.17266209  0.60798638  1
  N  N108  1  0.34616070  0.67267630  0.10794513  1
  N  N109  1  0.84612311  0.82733820  0.39202663  1
  O  O110  1  0.05885038  0.92737620  0.87617786  1
  O  O111  1  0.55882823  0.57264569  0.62382684  1
  O  O112  1  0.94114267  0.07261285  0.12381002  1
  O  O113  1  0.44119168  0.42734003  0.37617982  1
  O  O114  1  0.01156888  0.98055917  0.66735668  1
  O  O115  1  0.51163426  0.51946572  0.83267690  1
  O  O116  1  0.98840626  0.01944797  0.33263537  1
  O  O117  1  0.48838020  0.48053737  0.16732666  1
  O  O118  1  0.88046117  0.38045249  0.63492098  1
  O  O119  1  0.38045099  0.11956097  0.86500550  1
  O  O120  1  0.11953332  0.61953682  0.36506333  1
  O  O121  1  0.61954623  0.88043516  0.13499143  1
  O  O122  1  0.04649358  0.65691128  0.66185509  1
  O  O123  1  0.54648939  0.84307713  0.83811148  1
  O  O124  1  0.95352282  0.34306270  0.33812583  1
  O  O125  1  0.45352124  0.15691666  0.16187260  1
  O  O126  1  0.29703046  0.83052252  0.70140278  1
  O  O127  1  0.79705428  0.66939621  0.79857320  1
  O  O128  1  0.70294910  0.16946487  0.29859299  1
  O  O129  1  0.20296748  0.33058073  0.20140309  1
  O  O130  1  0.03418051  0.48990963  0.83778006  1
  O  O131  1  0.53419485  1.01001222  0.66220280  1
  O  O132  1  0.96583645  0.51008813  0.16222672  1
  O  O133  1  0.46579562  -0.01002675  0.33779880  1
