# generated using pymatgen
data_Fe3Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33914767
_cell_length_b   9.69300678
_cell_length_c   13.60835747
_cell_angle_alpha   103.68428569
_cell_angle_beta   89.99996308
_cell_angle_gamma   90.00012964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni2H32C12(NO2)6
_chemical_formula_sum   'Fe6 Ni4 H64 C24 N12 O24'
_cell_volume   1196.92034769
_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  0.09357401  0.83592616  0.73103875  1
  Fe  Fe1  1  0.59356921  0.66407372  0.76896011  1
  Fe  Fe2  1  0.90633080  0.16414718  0.26885218  1
  Fe  Fe3  1  0.40632503  0.33584055  0.23114214  1
  Ni  Ni4  1  0.93245584  0.54645504  0.73196519  1
  Ni  Ni5  1  0.43245662  0.95354487  0.76802794  1
  Ni  Ni6  1  0.06763693  0.45355204  0.26813443  1
  Ni  Ni7  1  0.56763561  0.04645405  0.23185103  1
  Fe  Fe8  1  0.00118428  0.99848860  1.00052579  1
  Fe  Fe9  1  0.50112146  0.50142634  0.49949578  1
  H  H10  1  0.18003399  0.21256818  0.10098616  1
  H  H11  1  0.68003978  0.28743238  0.39900935  1
  H  H12  1  0.82008453  0.78677266  0.89895984  1
  H  H13  1  0.32008372  0.71322076  0.60103051  1
  H  H14  1  0.26351000  0.12202858  0.99442133  1
  H  H15  1  0.76352089  0.37797150  0.50558245  1
  H  H16  1  0.73680789  0.87787860  0.00561276  1
  H  H17  1  0.23680009  0.62212091  0.49438044  1
  H  H18  1  0.53413741  0.46668044  0.87190898  1
  H  H19  1  0.03413403  0.03331812  0.62810080  1
  H  H20  1  0.46567746  0.53324790  0.12825799  1
  H  H21  1  0.96568663  0.96676268  0.37176640  1
  H  H22  1  0.50938821  0.23156201  0.89767116  1
  H  H23  1  0.00940513  0.26844204  0.60233074  1
  H  H24  1  0.49041939  0.76847341  0.10231732  1
  H  H25  1  0.99043602  0.73153602  0.39768473  1
  H  H26  1  0.72260462  0.02040453  0.86048136  1
  H  H27  1  0.22262065  0.47960531  0.63953686  1
  H  H28  1  0.27743958  0.97984060  0.13949495  1
  H  H29  1  0.77745357  0.52016372  0.36049014  1
  H  H30  1  0.87017178  0.06763193  0.79296391  1
  H  H31  1  0.37019078  0.43236405  0.70704613  1
  H  H32  1  0.12978681  0.93281003  0.20707995  1
  H  H33  1  0.62979966  0.56719872  0.29291511  1
  H  H34  1  0.19133708  0.33381490  0.95650452  1
  H  H35  1  0.69134179  0.16617837  0.54348598  1
  H  H36  1  0.80847031  0.66590994  0.04358131  1
  H  H37  1  0.30848492  0.83407607  0.45641277  1
  H  H38  1  0.28814412  0.14227116  0.84553459  1
  H  H39  1  0.78814245  0.35772111  0.65446023  1
  H  H40  1  0.71175958  0.85764833  0.15451869  1
  H  H41  1  0.21176783  0.64235198  0.34547290  1
  H  H42  1  0.57360414  0.39311184  0.07454786  1
  H  H43  1  0.07360671  0.10690199  0.42547442  1
  H  H44  1  0.42621145  0.60690828  0.92552904  1
  H  H45  1  0.92620967  0.89308992  0.57448006  1
  H  H46  1  0.73448160  0.43596342  -0.00482274  1
  H  H47  1  0.23449263  0.06403011  0.50483013  1
  H  H48  1  0.26535353  0.56405325  1.00490297  1
  H  H49  1  0.76535478  0.93594005  0.49510861  1
  H  H50  1  0.81066607  0.27401567  0.09891140  1
  H  H51  1  0.31066884  0.22599199  0.40109638  1
  H  H52  1  0.18935811  0.72606374  0.90099908  1
  H  H53  1  0.68935896  0.77391610  0.59899464  1
  H  H54  1  0.69180474  0.14015921  0.03663073  1
  H  H55  1  0.19181682  0.35985636  0.46337672  1
  H  H56  1  0.30832963  0.85982216  0.96329727  1
  H  H57  1  0.80833675  0.64016671  0.53669250  1
  H  H58  1  0.77263425  0.30480083  0.80291949  1
  H  H59  1  0.27264054  0.19520158  0.69709305  1
  H  H60  1  0.22705573  0.69557457  0.19714951  1
  H  H61  1  0.72706214  0.80444675  0.30286217  1
  H  H62  1  0.64189135  0.17121032  0.75242443  1
  H  H63  1  0.14190438  0.32879711  0.74758396  1
  H  H64  1  0.35797386  0.82900396  0.24756316  1
  H  H65  1  0.85799054  0.67102313  0.25243538  1
  H  H66  1  0.97141189  0.46045841  0.10780481  1
  H  H67  1  0.47140553  0.03954355  0.39217263  1
  H  H68  1  0.02882121  0.53974187  0.89222727  1
  H  H69  1  0.52881982  0.96025695  0.60776247  1
  H  H70  1  0.95936008  0.34495570  0.89217459  1
  H  H71  1  0.45935913  0.15504330  0.60783285  1
  H  H72  1  0.04143613  0.65511171  0.10809458  1
  H  H73  1  0.54142300  0.84487748  0.39190035  1
  C  C74  1  0.79119740  0.10921276  0.85203900  1
  C  C75  1  0.29121389  0.39079440  0.64797134  1
  C  C76  1  0.20871835  0.89112875  0.14797587  1
  C  C77  1  0.70873073  0.60887941  0.35201993  1
  C  C78  1  0.11453692  0.25516598  0.97017608  1
  C  C79  1  0.61454444  0.24482836  0.52982156  1
  C  C80  1  0.88535889  0.74431988  0.02998890  1
  C  C81  1  0.38536041  0.75566153  0.47000375  1
  C  C82  1  0.66915907  0.34156046  0.99528494  1
  C  C83  1  0.16917590  0.15844586  0.50472724  1
  C  C84  1  0.33048380  0.65857864  0.00477669  1
  C  C85  1  0.83049497  0.84141937  0.49522892  1
  C  C86  1  0.75836337  0.22884648  0.02654615  1
  C  C87  1  0.25837148  0.27116646  0.47346322  1
  C  C88  1  0.24155819  0.77121897  0.97337544  1
  C  C89  1  0.74155996  0.72876619  0.52661719  1
  C  C90  1  0.70174433  0.22338013  0.82061250  1
  C  C91  1  0.20175828  0.27662416  0.67939678  1
  C  C92  1  0.29806005  0.77687176  0.17940104  1
  C  C93  1  0.79807386  0.72314542  0.32060016  1
  C  C94  1  0.97874905  0.26293640  0.93702059  1
  C  C95  1  0.47876496  0.23708340  0.56297839  1
  C  C96  1  0.02124934  0.73702256  0.06307577  1
  C  C97  1  0.52125693  0.76296336  0.43691702  1
  N  N98  1  0.86810138  0.16845152  0.94834037  1
  N  N99  1  0.36811932  0.33157657  0.55166298  1
  N  N100  1  0.13155665  0.83219867  0.05156457  1
  N  N101  1  0.63156749  0.66780000  0.44842612  1
  N  N102  1  0.16436210  0.15852217  0.02357968  1
  N  N103  1  0.66437174  0.34147095  0.47641293  1
  N  N104  1  0.83590990  0.84093404  0.97638317  1
  N  N105  1  0.33591203  0.65905083  0.52361291  1
  N  N106  1  0.60102510  0.29586533  0.89896933  1
  N  N107  1  0.10104079  0.20413801  0.60104056  1
  N  N108  1  0.39871534  0.70428452  0.10105246  1
  N  N109  1  0.89872883  0.79572373  0.39895419  1
  O  O110  1  0.05650334  0.91901531  0.86774613  1
  O  O111  1  0.55647576  0.58096989  0.63225463  1
  O  O112  1  0.94284133  0.08160902  0.13197941  1
  O  O113  1  0.44279562  0.41834544  0.36802589  1
  O  O114  1  -0.00893789  0.94488060  0.64105640  1
  O  O115  1  0.49107584  0.55512718  0.85895875  1
  O  O116  1  1.00884929  0.05513248  0.35878122  1
  O  O117  1  0.50887068  0.44489703  0.14125127  1
  O  O118  1  0.87659606  0.38409848  0.62569396  1
  O  O119  1  0.37659433  0.11590498  0.87429046  1
  O  O120  1  0.12339240  0.61591802  0.37436475  1
  O  O121  1  0.62338745  0.88408862  0.12562127  1
  O  O122  1  0.06228697  0.64452701  0.67410363  1
  O  O123  1  0.56226441  0.85546468  0.82590038  1
  O  O124  1  0.93766727  0.35555175  0.32593496  1
  O  O125  1  0.43766169  0.14443735  0.17404022  1
  O  O126  1  0.28666989  0.83888435  0.70210369  1
  O  O127  1  0.78667019  0.66113383  0.79788285  1
  O  O128  1  0.71336523  0.16104383  0.29783937  1
  O  O129  1  0.21337598  0.33897924  0.20213130  1
  O  O130  1  0.00656036  0.45741155  0.83776948  1
  O  O131  1  0.50656377  1.04259378  0.66222751  1
  O  O132  1  0.99387588  0.54279799  0.16230048  1
  O  O133  1  0.49387876  -0.04279476  0.33768031  1
