# generated using pymatgen
data_V2FeNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35968746
_cell_length_b   9.71507448
_cell_length_c   13.64666811
_cell_angle_alpha   103.47044450
_cell_angle_beta   90.00001624
_cell_angle_gamma   90.00012683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeNi2H32C12(NO2)6
_chemical_formula_sum   'V4 Fe2 Ni4 H64 C24 N12 O24'
_cell_volume   1206.75567467
_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  0.08914865  0.86026081  0.73172645  1
  V  V1  1  0.58912472  0.63976693  0.76827063  1
  V  V2  1  0.91061703  0.13968963  0.26819022  1
  V  V3  1  0.41058980  0.36034837  0.23180396  1
  Ni  Ni4  1  0.93582507  0.54817139  0.73018095  1
  Ni  Ni5  1  0.43582811  0.95183670  0.76982363  1
  Ni  Ni6  1  0.06413702  0.45188214  0.26979917  1
  Ni  Ni7  1  0.56414608  0.04813433  0.23020880  1
  Fe  Fe8  1  0.00026547  0.99976816  1.00010150  1
  Fe  Fe9  1  0.50025114  0.50017293  0.49991578  1
  H  H10  1  0.19282299  0.19556942  0.08892917  1
  H  H11  1  0.69283915  0.30441459  0.41107402  1
  H  H12  1  0.80732506  0.80434743  0.91108102  1
  H  H13  1  0.30734999  0.69563336  0.58892445  1
  H  H14  1  0.27806539  0.09996914  0.98631034  1
  H  H15  1  0.77807601  0.40001078  0.51369132  1
  H  H16  1  0.72214151  0.90001278  0.01366878  1
  H  H17  1  0.22215219  0.59996672  0.48633811  1
  H  H18  1  0.57855067  0.38241621  0.86915502  1
  H  H19  1  0.07855335  0.11758196  0.63084462  1
  H  H20  1  0.42145470  0.61762867  0.13081450  1
  H  H21  1  0.92145253  0.88237921  0.36918231  1
  H  H22  1  0.46784838  0.16969736  0.89187192  1
  H  H23  1  -0.03215270  0.33030595  0.60813052  1
  H  H24  1  0.53220769  0.83029667  0.10813957  1
  H  H25  1  1.03221691  0.66972117  0.39185468  1
  H  H26  1  0.75437476  0.03138355  0.85310324  1
  H  H27  1  0.25438852  0.46861204  0.64689562  1
  H  H28  1  0.24571817  0.96868310  0.14696735  1
  H  H29  1  0.74573288  0.53131602  0.35302642  1
  H  H30  1  0.90618892  0.08716113  0.79477875  1
  H  H31  1  0.40620080  0.41283311  0.70522213  1
  H  H32  1  0.09386079  0.91288793  0.20523554  1
  H  H33  1  0.59387112  0.58710676  0.29476212  1
  H  H34  1  0.20562478  0.33089517  0.97087150  1
  H  H35  1  0.70563554  0.16907972  0.52913358  1
  H  H36  1  0.79450374  0.66893881  0.02916302  1
  H  H37  1  0.29451351  0.83104076  0.47085089  1
  H  H38  1  0.16859459  0.18128045  0.87338171  1
  H  H39  1  0.66860918  0.31870342  0.62662196  1
  H  H40  1  0.83140692  0.81862139  0.12662945  1
  H  H41  1  0.33141771  0.68136095  0.37337550  1
  H  H42  1  0.58312557  0.36585836  0.04509545  1
  H  H43  1  0.08314114  0.13413371  0.45489834  1
  H  H44  1  0.41683664  0.63412188  0.95485013  1
  H  H45  1  0.91684280  0.86588079  0.54514745  1
  H  H46  1  0.73834995  0.44176481  0.00748214  1
  H  H47  1  0.23835698  0.05823400  0.49252193  1
  H  H48  1  0.26159436  0.55830403  0.99249307  1
  H  H49  1  0.76159519  0.94169279  0.50750665  1
  H  H50  1  0.80186400  0.26487247  0.10105345  1
  H  H51  1  0.30187413  0.23512268  0.39894585  1
  H  H52  1  0.19808432  0.73520619  0.89892912  1
  H  H53  1  0.69809669  0.76478843  0.60106804  1
  H  H54  1  0.69387082  0.13408484  0.02421756  1
  H  H55  1  0.19388248  0.36591024  0.47578221  1
  H  H56  1  0.30617449  0.86593727  0.97569375  1
  H  H57  1  0.80618688  0.63405792  0.52430211  1
  H  H58  1  0.80404297  0.31758028  0.79773450  1
  H  H59  1  0.30404683  0.18241575  0.70226307  1
  H  H60  1  0.19596269  0.68246779  0.20225945  1
  H  H61  1  0.69596296  0.81753298  0.29773609  1
  H  H62  1  0.67817155  0.18207245  0.74817005  1
  H  H63  1  0.17818008  0.31792522  0.75182955  1
  H  H64  1  0.32188404  0.81792983  0.25180490  1
  H  H65  1  0.82188860  0.68207389  0.24819296  1
  H  H66  1  0.96779859  0.43073477  0.10724179  1
  H  H67  1  0.46781177  0.06926443  0.39276726  1
  H  H68  1  0.03207253  0.56939663  0.89284033  1
  H  H69  1  0.53208058  0.93059712  0.60716673  1
  H  H70  1  0.96800314  0.37077917  0.92455022  1
  H  H71  1  0.46800539  0.12920887  0.57545059  1
  H  H72  1  0.03227151  0.62921156  0.07543642  1
  H  H73  1  0.53226824  0.87076994  0.42455957  1
  C  C74  1  0.82088782  0.12313764  0.85028522  1
  C  C75  1  0.32089957  0.37685765  0.64971432  1
  C  C76  1  0.17915106  0.87694203  0.14973366  1
  C  C77  1  0.67916241  0.62305564  0.35026323  1
  C  C78  1  0.14039262  0.23429475  0.95156879  1
  C  C79  1  0.64040619  0.26568116  0.54843452  1
  C  C80  1  0.85968105  0.76557812  0.04844224  1
  C  C81  1  0.35969022  0.73439928  0.45156380  1
  C  C82  1  0.67556896  0.34253182  0.99390856  1
  C  C83  1  0.17557653  0.15746603  0.50609160  1
  C  C84  1  0.32440957  0.65751384  0.00605403  1
  C  C85  1  0.82441520  0.84248607  0.49394398  1
  C  C86  1  0.76065097  0.22647981  0.02458040  1
  C  C87  1  0.26066155  0.27351626  0.47541958  1
  C  C88  1  0.23937299  0.77358951  0.97538287  1
  C  C89  1  0.73938167  0.72640476  0.52461328  1
  C  C90  1  0.73369690  0.23627918  0.81724062  1
  C  C91  1  0.23370257  0.26371849  0.68275813  1
  C  C92  1  0.26632236  0.76375314  0.18273877  1
  C  C93  1  0.76632523  0.73624919  0.31725739  1
  C  C94  1  0.98961779  0.27634974  0.95542892  1
  C  C95  1  0.48962911  0.22363060  0.54456819  1
  C  C96  1  0.01044718  0.72356004  0.04457636  1
  C  C97  1  0.51045599  0.77641635  0.45541982  1
  N  N98  1  0.88116095  0.17638236  0.95391400  1
  N  N99  1  0.38117551  0.32361249  0.54608469  1
  N  N100  1  0.11884119  0.82376272  0.04605076  1
  N  N101  1  0.61885426  0.67622989  0.45394511  1
  N  N102  1  0.17821771  0.13742299  0.01585740  1
  N  N103  1  0.67822461  0.36255842  0.48414577  1
  N  N104  1  0.82194708  0.86242932  0.98414865  1
  N  N105  1  0.32195709  0.63754570  0.51585960  1
  N  N106  1  0.62670689  0.29836268  0.89103175  1
  N  N107  1  0.12671077  0.20163768  0.60896809  1
  N  N108  1  0.37328400  0.70167336  0.10892580  1
  N  N109  1  0.87328590  0.79833341  0.39107153  1
  O  O110  1  0.05388636  0.91165216  0.86502625  1
  O  O111  1  0.55380972  0.58844926  0.63497600  1
  O  O112  1  0.94527404  0.08828488  0.13481940  1
  O  O113  1  0.44519446  0.41184242  0.36517293  1
  O  O114  1  0.00597439  0.97511096  0.67301670  1
  O  O115  1  0.50596227  0.52488463  0.82695860  1
  O  O116  1  0.99398700  0.02476258  0.32673042  1
  O  O117  1  0.49398536  0.47525104  0.17325140  1
  O  O118  1  0.88982028  0.40111748  0.61784691  1
  O  O119  1  0.38981490  0.09889027  0.88215468  1
  O  O120  1  0.11022616  0.59890565  0.38206988  1
  O  O121  1  0.61021343  0.90111583  0.11792252  1
  O  O122  1  0.03137138  0.68964904  0.67916634  1
  O  O123  1  0.53135519  0.81037290  0.82085736  1
  O  O124  1  0.96851824  0.31028569  0.32071899  1
  O  O125  1  0.46849695  0.18974135  0.17931239  1
  O  O126  1  0.27169890  0.85523554  0.70457226  1
  O  O127  1  0.77168179  0.64477555  0.79540318  1
  O  O128  1  0.72813981  0.14483034  0.29563146  1
  O  O129  1  0.22811708  0.35519059  0.20434842  1
  O  O130  1  0.03188117  0.48626136  0.83621923  1
  O  O131  1  0.53189989  1.01373530  0.66378569  1
  O  O132  1  0.96799161  0.51388727  0.16384983  1
  O  O133  1  0.46801550  -0.01388408  0.33615616  1
