# generated using pymatgen
data_Mn2FeNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35287037
_cell_length_b   9.71240096
_cell_length_c   13.65713988
_cell_angle_alpha   103.44779816
_cell_angle_beta   90.00009828
_cell_angle_gamma   90.00015552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNi2H32C12(NO2)6
_chemical_formula_sum   'Mn4 Fe2 Ni4 H64 C24 N12 O24'
_cell_volume   1206.58409464
_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  0.09537120  0.85268419  0.73543234  1
  Ni  Ni1  1  0.59539362  0.64733312  0.76455248  1
  Ni  Ni2  1  0.90461489  0.14731523  0.26457559  1
  Ni  Ni3  1  0.40456380  0.35265395  0.23546017  1
  Mn  Mn4  1  0.94928102  0.55654968  0.72463489  1
  Mn  Mn5  1  0.44927682  0.94344640  0.77537056  1
  Mn  Mn6  1  0.05072143  0.44346840  0.27536852  1
  Mn  Mn7  1  0.55073031  0.05653887  0.22462152  1
  Fe  Fe8  1  0.00014452  0.99973004  1.00002554  1
  Fe  Fe9  1  0.50016262  0.50028657  0.49997117  1
  H  H10  1  0.18751926  0.19799309  0.09464120  1
  H  H11  1  0.68752427  0.30200935  0.40535607  1
  H  H12  1  0.81248338  0.80193646  0.90536097  1
  H  H13  1  0.31249199  0.69807160  0.59464326  1
  H  H14  1  0.27519108  0.09842223  0.99622914  1
  H  H15  1  0.77519859  0.40157398  0.50376541  1
  H  H16  1  0.72491193  0.90160955  0.00377786  1
  H  H17  1  0.22493144  0.59838476  0.49622789  1
  H  H18  1  0.53426468  0.46699722  0.88058402  1
  H  H19  1  0.03425322  0.03294892  0.61941613  1
  H  H20  1  0.46572782  0.53303724  0.11941604  1
  H  H21  1  0.96573991  0.96705920  0.38058160  1
  H  H22  1  0.54096305  0.22295464  0.89314406  1
  H  H23  1  0.04093233  0.27701469  0.60685147  1
  H  H24  1  0.45903548  0.77703626  0.10685009  1
  H  H25  1  0.95905365  0.72298652  0.39315226  1
  H  H26  1  0.77282350  0.03515485  0.85052937  1
  H  H27  1  0.27282139  0.46483282  0.64946521  1
  H  H28  1  0.22718827  0.96484701  0.14946639  1
  H  H29  1  0.72719898  0.53515353  0.35053258  1
  H  H30  1  0.92309862  0.11023126  0.80582214  1
  H  H31  1  0.42308438  0.38975258  0.69416933  1
  H  H32  1  0.07690220  0.88976026  0.19419182  1
  H  H33  1  0.57691361  0.61024310  0.30580900  1
  H  H34  1  0.21615766  0.32545616  0.96514467  1
  H  H35  1  0.71615608  0.17455242  0.53484793  1
  H  H36  1  0.78378515  0.67448536  0.03488257  1
  H  H37  1  0.28378579  0.82551779  0.46511681  1
  H  H38  1  0.15083685  0.17445301  0.87744574  1
  H  H39  1  0.65083506  0.32555303  0.62254919  1
  H  H40  1  0.84914442  0.82547559  0.12256825  1
  H  H41  1  0.34914229  0.67452578  0.37743287  1
  H  H42  1  0.57223381  0.39416951  0.07722132  1
  H  H43  1  0.07241774  0.10594298  0.42300081  1
  H  H44  1  0.42769588  0.60586430  0.92286023  1
  H  H45  1  0.92760497  0.89407485  0.57702125  1
  H  H46  1  0.74213477  0.43655490  0.00499996  1
  H  H47  1  0.24215555  0.06346207  0.49498358  1
  H  H48  1  0.25785302  0.56344183  0.99499091  1
  H  H49  1  0.75784246  0.93655036  0.50501890  1
  H  H50  1  0.79621960  0.26369623  0.10667155  1
  H  H51  1  0.29622951  0.23630072  0.39330412  1
  H  H52  1  0.20378779  0.73629826  0.89331822  1
  H  H53  1  0.70378400  0.76370373  0.60669439  1
  H  H54  1  0.68957855  0.13289700  0.02784743  1
  H  H55  1  0.18957717  0.36708199  0.47215054  1
  H  H56  1  0.31042048  0.86710857  0.97214830  1
  H  H57  1  0.81042663  0.63290015  0.52785712  1
  H  H58  1  0.79801629  0.33467833  0.81471316  1
  H  H59  1  0.29799389  0.16530577  0.68526801  1
  H  H60  1  0.20197492  0.66532543  0.18527938  1
  H  H61  1  0.70198816  0.83468024  0.31473135  1
  H  H62  1  0.68899184  0.19161827  0.75223368  1
  H  H63  1  0.18895953  0.30835008  0.74773141  1
  H  H64  1  0.31099787  0.80838653  0.24774702  1
  H  H65  1  0.81101792  0.69163343  0.25227117  1
  H  H66  1  0.98337568  0.35758054  0.05487288  1
  H  H67  1  0.48337930  0.14241099  0.44512268  1
  H  H68  1  0.01662030  0.64235303  0.94511545  1
  H  H69  1  0.51662463  0.85765380  0.55488259  1
  H  H70  1  0.96860676  0.36388360  0.92413704  1
  H  H71  1  0.46862021  0.13610817  0.57586241  1
  H  H72  1  0.03145056  0.63609956  0.07586403  1
  H  H73  1  0.53145902  0.86389862  0.42413199  1
  C  C74  1  0.83228380  0.13408612  0.85714915  1
  C  C75  1  0.33226751  0.36589360  0.64283982  1
  C  C76  1  0.16770727  0.86592714  0.14285106  1
  C  C77  1  0.66771928  0.63407388  0.35715264  1
  C  C78  1  0.14074198  0.23647497  0.95508931  1
  C  C79  1  0.64073846  0.26353094  0.54490577  1
  C  C80  1  0.85923628  0.76342995  0.04492884  1
  C  C81  1  0.35923835  0.73657583  0.45507164  1
  C  C82  1  0.67866186  0.33969590  0.99722543  1
  C  C83  1  0.17856717  0.16023835  0.50269711  1
  C  C84  1  0.32134645  0.66028147  0.00275124  1
  C  C85  1  0.82138906  0.83974935  0.49728545  1
  C  C86  1  0.75877093  0.22458867  0.02965311  1
  C  C87  1  0.25878793  0.27540365  0.47032442  1
  C  C88  1  0.24124767  0.77540302  0.97032877  1
  C  C89  1  0.74124304  0.72459681  0.52968409  1
  C  C90  1  0.73550847  0.24322670  0.82507814  1
  C  C91  1  0.23547714  0.25674257  0.67489003  1
  C  C92  1  0.26448550  0.75676781  0.17490493  1
  C  C93  1  0.76449998  0.74324478  0.32511188  1
  C  C94  1  0.99061988  0.29517090  0.97633708  1
  C  C95  1  0.49062036  0.20482012  0.52365922  1
  C  C96  1  0.00935886  0.70476178  0.02365480  1
  C  C97  1  0.50936312  0.79524246  0.47634320  1
  N  N98  1  0.88344826  0.17854444  0.96272298  1
  N  N99  1  0.38342511  0.32142157  0.53726552  1
  N  N100  1  0.11650324  0.82147097  0.03724553  1
  N  N101  1  0.61651374  0.67853271  0.46276183  1
  N  N102  1  0.17780966  0.14155281  0.02093973  1
  N  N103  1  0.67781039  0.35845648  0.47905532  1
  N  N104  1  0.82224499  0.85834178  0.97906965  1
  N  N105  1  0.32225712  0.64166345  0.52093271  1
  N  N106  1  0.62155818  0.29751765  0.89803815  1
  N  N107  1  0.12153408  0.20245596  0.60193209  1
  N  N108  1  0.37843547  0.70247260  0.10195169  1
  N  N109  1  0.87844425  0.79753712  0.39806381  1
  O  O110  1  0.04842695  0.94118921  0.86831867  1
  O  O111  1  0.54837672  0.55877998  0.63169135  1
  O  O112  1  0.95147722  0.05948798  0.13156720  1
  O  O113  1  0.45142830  0.44051144  0.36844636  1
  O  O114  1  -0.00922538  0.94913794  0.63796738  1
  O  O115  1  0.49079900  0.55075695  0.86195090  1
  O  O116  1  1.00923918  0.05086359  0.36203620  1
  O  O117  1  0.50918235  0.44931825  0.13811167  1
  O  O118  1  0.90311060  0.41497586  0.63631152  1
  O  O119  1  0.40313014  0.08503414  0.86369161  1
  O  O120  1  0.09690497  0.58504045  0.36369046  1
  O  O121  1  0.59689254  0.91495201  0.13630305  1
  O  O122  1  0.05349700  0.65929618  0.66710968  1
  O  O123  1  0.55348321  0.84068952  0.83290009  1
  O  O124  1  0.94650646  0.34072772  0.33290315  1
  O  O125  1  0.44653669  0.15930045  0.16708172  1
  O  O126  1  0.30389720  0.84503928  0.72318456  1
  O  O127  1  0.80389479  0.65495836  0.77682119  1
  O  O128  1  0.69608987  0.15492909  0.27682721  1
  O  O129  1  0.19608230  0.34507141  0.22315806  1
  O  O130  1  0.03987127  0.51057496  0.81669291  1
  O  O131  1  0.53987080  0.98941004  0.68330798  1
  O  O132  1  0.96013062  0.48947598  0.18332959  1
  O  O133  1  0.46013125  0.01054267  0.31666373  1
