# generated using pymatgen
data_Mn2Fe2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35756297
_cell_length_b   9.71016852
_cell_length_c   13.66531683
_cell_angle_alpha   103.35854245
_cell_angle_beta   90.00002049
_cell_angle_gamma   90.00012697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Fe2NiH32C12(NO2)6
_chemical_formula_sum   'Mn4 Fe4 Ni2 H64 C24 N12 O24'
_cell_volume   1208.08298266
_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  0.09844936  0.86761403  0.73763449  1
  Fe  Fe1  1  0.59844840  0.63237467  0.76235907  1
  Fe  Fe2  1  0.90154710  0.13238977  0.26236198  1
  Fe  Fe3  1  0.40154056  0.36762634  0.23764154  1
  Mn  Mn4  1  0.95630186  0.55959403  0.72354680  1
  Mn  Mn5  1  0.45630284  0.94039493  0.77645442  1
  Mn  Mn6  1  0.04369665  0.44040897  0.27645409  1
  Mn  Mn7  1  0.54369401  0.05960309  0.22354383  1
  Ni  Ni8  1  0.00004549  0.99994133  1.00002287  1
  Ni  Ni9  1  0.50015189  0.50002717  0.49996463  1
  H  H10  1  0.18785360  0.19397126  0.09125352  1
  H  H11  1  0.68785631  0.30602058  0.40874179  1
  H  H12  1  0.81214880  0.80602820  0.90874453  1
  H  H13  1  0.31216152  0.69396441  0.59125464  1
  H  H14  1  0.27959650  0.10030792  0.99255273  1
  H  H15  1  0.77959723  0.39969484  0.50744402  1
  H  H16  1  0.72040360  0.89969370  0.00744698  1
  H  H17  1  0.22041842  0.60029889  0.49255453  1
  H  H18  1  0.55040134  0.44531775  0.85722136  1
  H  H19  1  0.05039956  0.05466941  0.64277131  1
  H  H20  1  0.44959925  0.55468609  0.14278373  1
  H  H21  1  0.94960162  0.94533352  0.35722693  1
  H  H22  1  0.54575686  0.21752095  0.88481379  1
  H  H23  1  0.04575513  0.28246758  0.61518763  1
  H  H24  1  0.45424270  0.78247902  0.11518428  1
  H  H25  1  0.95424644  0.71753282  0.38481299  1
  H  H26  1  0.78111693  0.03188433  0.85092381  1
  H  H27  1  0.28112018  0.46810876  0.64907562  1
  H  H28  1  0.21888417  0.96811701  0.14907509  1
  H  H29  1  0.71889469  0.53188616  0.35092142  1
  H  H30  1  0.93032163  0.10878717  0.80591296  1
  H  H31  1  0.43032053  0.39120841  0.69409032  1
  H  H32  1  0.06967882  0.89121199  0.19408508  1
  H  H33  1  0.56968310  0.60879104  0.30591317  1
  H  H34  1  0.21643262  0.32914382  0.96590450  1
  H  H35  1  0.71643662  0.17085495  0.53409315  1
  H  H36  1  0.78356690  0.67085209  0.03409402  1
  H  H37  1  0.28356861  0.82913969  0.46590710  1
  H  H38  1  0.15169429  0.18084419  0.87599404  1
  H  H39  1  0.65169869  0.31915259  0.62400515  1
  H  H40  1  0.84830426  0.81915104  0.12400525  1
  H  H41  1  0.34830491  0.68084127  0.37599609  1
  H  H42  1  0.58400645  0.36506048  0.04997257  1
  H  H43  1  0.08401026  0.13492937  0.45002833  1
  H  H44  1  0.41599286  0.63493535  0.95002623  1
  H  H45  1  0.91599171  0.86507624  0.54997225  1
  H  H46  1  0.73993491  0.42991827  0.00391342  1
  H  H47  1  0.23993772  0.07007713  0.49608741  1
  H  H48  1  0.26006292  0.57008167  0.99608670  1
  H  H49  1  0.76006043  0.92992254  0.50391108  1
  H  H50  1  0.79875378  0.25524631  0.10452992  1
  H  H51  1  0.29874931  0.24475483  0.39547238  1
  H  H52  1  0.20124639  0.74475210  0.89546789  1
  H  H53  1  0.70125049  0.75524981  0.60453024  1
  H  H54  1  0.69539508  0.12484576  0.02380294  1
  H  H55  1  0.19539496  0.37515053  0.47620511  1
  H  H56  1  0.30460633  0.87515277  0.97619581  1
  H  H57  1  0.80461438  0.62485154  0.52379828  1
  H  H58  1  0.80672310  0.32984656  0.81302368  1
  H  H59  1  0.30672411  0.17015016  0.68697906  1
  H  H60  1  0.19327667  0.67015653  0.18697856  1
  H  H61  1  0.69327590  0.82984381  0.31301571  1
  H  H62  1  0.70075657  0.18583949  0.74953225  1
  H  H63  1  0.20075534  0.31415596  0.75046875  1
  H  H64  1  0.29924429  0.81416622  0.25046663  1
  H  H65  1  0.79924813  0.68583555  0.24953162  1
  H  H66  1  0.98460815  0.35347994  0.05647356  1
  H  H67  1  0.48460752  0.14651478  0.44352758  1
  H  H68  1  0.01539398  0.64651767  0.94352490  1
  H  H69  1  0.51539727  0.85348268  0.55647246  1
  H  H70  1  0.97108930  0.36801998  0.92762865  1
  H  H71  1  0.47109340  0.13197346  0.57237325  1
  H  H72  1  0.02891393  0.63197996  0.07237095  1
  H  H73  1  0.52891158  0.86801834  0.42762596  1
  C  C74  1  0.83942446  0.13119202  0.85688434  1
  C  C75  1  0.33942619  0.36880265  0.64311639  1
  C  C76  1  0.16057689  0.86880778  0.14311566  1
  C  C77  1  0.66058297  0.63119559  0.35688102  1
  C  C78  1  0.14266568  0.23863144  0.95459816  1
  C  C79  1  0.64266720  0.26136194  0.54540271  1
  C  C80  1  0.85733306  0.76136430  0.04540093  1
  C  C81  1  0.35733665  0.73862628  0.45460112  1
  C  C82  1  0.67379600  0.33445717  0.99666939  1
  C  C83  1  0.17379536  0.16553619  0.50333126  1
  C  C84  1  0.32620456  0.66554011  0.00332949  1
  C  C85  1  0.82620678  0.83446767  0.49666885  1
  C  C86  1  0.76156792  0.21885671  0.02754382  1
  C  C87  1  0.26156927  0.28113942  0.47246002  1
  C  C88  1  0.23843492  0.78114107  0.97245353  1
  C  C89  1  0.73844065  0.71886300  0.52754447  1
  C  C90  1  0.74334096  0.23882482  0.82324022  1
  C  C91  1  0.24334135  0.26117023  0.67676141  1
  C  C92  1  0.25665947  0.76117602  0.17675936  1
  C  C93  1  0.75666250  0.73882915  0.32323761  1
  C  C94  1  0.99246793  0.29538264  0.97722686  1
  C  C95  1  0.49247032  0.20461156  0.52277439  1
  C  C96  1  0.00753150  0.70461243  0.02277179  1
  C  C97  1  0.50753526  0.79538572  0.47722594  1
  N  N98  1  0.88625324  0.17921166  0.96172868  1
  N  N99  1  0.38625928  0.32078113  0.53827253  1
  N  N100  1  0.11374948  0.82078368  0.03827133  1
  N  N101  1  0.61375845  0.67921545  0.46172579  1
  N  N102  1  0.18134977  0.14121029  0.01710864  1
  N  N103  1  0.68135488  0.35878024  0.48288649  1
  N  N104  1  0.81864959  0.85878422  0.98289009  1
  N  N105  1  0.31866619  0.64120385  0.51710988  1
  N  N106  1  0.62696155  0.29148073  0.89252306  1
  N  N107  1  0.12696206  0.20851220  0.60747830  1
  N  N108  1  0.37303827  0.70851957  0.10747616  1
  N  N109  1  0.87303933  0.79148850  0.39252166  1
  O  O110  1  0.04865357  0.91317978  0.87062447  1
  O  O111  1  0.54856223  0.58686756  0.62938569  1
  O  O112  1  0.95129193  0.08690340  0.12935574  1
  O  O113  1  0.45116875  0.41315363  0.37066684  1
  O  O114  1  -0.00185637  0.97382983  0.65948147  1
  O  O115  1  0.49814321  0.52615177  0.84050612  1
  O  O116  1  1.00185543  0.02617180  0.34051323  1
  O  O117  1  0.50185933  0.47385917  0.15950814  1
  O  O118  1  0.91524716  0.42349105  0.62944810  1
  O  O119  1  0.41525575  0.07649264  0.87055788  1
  O  O120  1  0.08474714  0.57650761  0.37055484  1
  O  O121  1  0.58474247  0.92351157  0.12943564  1
  O  O122  1  0.05066521  0.67548085  0.66972365  1
  O  O123  1  0.55066823  0.82450648  0.83027390  1
  O  O124  1  0.94932826  0.32452112  0.33027382  1
  O  O125  1  0.44932894  0.17549959  0.16972973  1
  O  O126  1  0.30367697  0.85726619  0.71982207  1
  O  O127  1  0.80367551  0.64272733  0.78017933  1
  O  O128  1  0.69631817  0.14273655  0.28018232  1
  O  O129  1  0.19631541  0.35727573  0.21981456  1
  O  O130  1  0.05415357  0.51205355  0.81164625  1
  O  O131  1  0.55414996  0.98794276  0.68835570  1
  O  O132  1  0.94584506  0.48796092  0.18835949  1
  O  O133  1  0.44584721  0.01204834  0.31163959  1
