# generated using pymatgen
data_Mn4FeH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36413695
_cell_length_b   9.71963562
_cell_length_c   13.66639057
_cell_angle_alpha   103.37631259
_cell_angle_beta   89.99998240
_cell_angle_gamma   90.00015569
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4FeH32C12(NO2)6
_chemical_formula_sum   'Mn8 Fe2 H64 C24 N12 O24'
_cell_volume   1210.11626054
_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
  Mn  Mn0  1  0.09462063  0.85148834  0.73367393  1
  Mn  Mn1  1  0.59458323  0.64851525  0.76631756  1
  Mn  Mn2  1  0.90533279  0.14872498  0.26633142  1
  Mn  Mn3  1  0.40519804  0.35136228  0.23363949  1
  Mn  Mn4  1  0.95271089  0.55562788  0.71985096  1
  Mn  Mn5  1  0.45274747  0.94437205  0.78014655  1
  Mn  Mn6  1  0.04707737  0.44440016  0.28006630  1
  Mn  Mn7  1  0.54715568  0.05569584  0.21995828  1
  Fe  Fe8  1  0.00008892  0.99985427  0.99995608  1
  Fe  Fe9  1  0.50005911  0.50009252  0.50006189  1
  H  H10  1  0.18587136  0.19968352  0.09576316  1
  H  H11  1  0.68589317  0.30032621  0.40423834  1
  H  H12  1  0.81408924  0.80016675  0.90422413  1
  H  H13  1  0.31414611  0.69982809  0.59576668  1
  H  H14  1  0.27295567  0.09999074  0.99772687  1
  H  H15  1  0.77299005  0.40001002  0.50226676  1
  H  H16  1  0.72730958  0.90013521  0.00227075  1
  H  H17  1  0.22732665  0.59988217  0.49772934  1
  H  H18  1  0.52752580  0.46670619  0.87596446  1
  H  H19  1  0.02753690  0.03330850  0.62403021  1
  H  H20  1  0.47249742  0.53344373  0.12402542  1
  H  H21  1  0.97245880  0.96662020  0.37600361  1
  H  H22  1  0.54061208  0.22498553  0.89350694  1
  H  H23  1  0.04061306  0.27502150  0.60648054  1
  H  H24  1  0.45936883  0.77505425  0.10649556  1
  H  H25  1  0.95937878  0.72499003  0.39349741  1
  H  H26  1  0.77335160  0.03748998  0.85146031  1
  H  H27  1  0.27336635  0.46250905  0.64855889  1
  H  H28  1  0.22674826  0.96246440  0.14848880  1
  H  H29  1  0.72676907  0.53753925  0.35152571  1
  H  H30  1  0.92293847  0.11421207  0.80749505  1
  H  H31  1  0.42294156  0.38576694  0.69251445  1
  H  H32  1  0.07704054  0.88590820  0.19250679  1
  H  H33  1  0.57704070  0.61406038  0.30748751  1
  H  H34  1  0.21558149  0.32746492  0.96677931  1
  H  H35  1  0.71560286  0.17253355  0.53322816  1
  H  H36  1  0.78437225  0.67247944  0.03326304  1
  H  H37  1  0.28439540  0.82752015  0.46674729  1
  H  H38  1  0.15130515  0.17721878  0.87871757  1
  H  H39  1  0.65131911  0.32278583  0.62128152  1
  H  H40  1  0.84870836  0.82269095  0.12130485  1
  H  H41  1  0.34871686  0.67732168  0.37868293  1
  H  H42  1  0.58295447  0.38697025  0.06386925  1
  H  H43  1  0.08302955  0.11303424  0.43609976  1
  H  H44  1  0.41695554  0.61304835  0.93614889  1
  H  H45  1  0.91696819  0.88695655  0.56384371  1
  H  H46  1  0.74591893  0.43636158  0.00227672  1
  H  H47  1  0.24594564  0.06364945  0.49770483  1
  H  H48  1  0.25416601  0.56357806  0.99775116  1
  H  H49  1  0.75417416  0.93643632  0.50225149  1
  H  H50  1  0.79558375  0.26589294  0.10673529  1
  H  H51  1  0.29560475  0.23416509  0.39326582  1
  H  H52  1  0.20459485  0.73388518  0.89319713  1
  H  H53  1  0.70460984  0.76613647  0.60680396  1
  H  H54  1  0.68905542  0.13559049  0.02782291  1
  H  H55  1  0.18904726  0.36440674  0.47218472  1
  H  H56  1  0.31103156  0.86431460  0.97216218  1
  H  H57  1  0.81103314  0.63569288  0.52783205  1
  H  H58  1  0.79678690  0.33600608  0.81446744  1
  H  H59  1  0.29677597  0.16398165  0.68552983  1
  H  H60  1  0.20315576  0.66403031  0.18552098  1
  H  H61  1  0.70313841  0.83595680  0.31447685  1
  H  H62  1  0.68823344  0.19190798  0.75330120  1
  H  H63  1  0.18822387  0.30806961  0.74669509  1
  H  H64  1  0.31172143  0.80809717  0.24669513  1
  H  H65  1  0.81170958  0.69189744  0.25330461  1
  H  H66  1  0.98326750  0.35962334  0.05548091  1
  H  H67  1  0.48326817  0.14038425  0.44450730  1
  H  H68  1  0.01681129  0.64020685  0.94447142  1
  H  H69  1  0.51681342  0.85979657  0.55551669  1
  H  H70  1  0.96883978  0.36629449  0.92473631  1
  H  H71  1  0.46884923  0.13371478  0.57526188  1
  H  H72  1  0.03124080  0.63369386  0.07526832  1
  H  H73  1  0.53125097  0.86631165  0.42472540  1
  C  C74  1  0.83168001  0.13691006  0.85808317  1
  C  C75  1  0.33167996  0.36307744  0.64192609  1
  C  C76  1  0.16829332  0.86311154  0.14188933  1
  C  C77  1  0.66828751  0.63687418  0.35811499  1
  C  C78  1  0.14004729  0.23876542  0.95617511  1
  C  C79  1  0.64006783  0.26123404  0.54382548  1
  C  C80  1  0.85998301  0.76112274  0.04383736  1
  C  C81  1  0.36000235  0.73887571  0.45615528  1
  C  C82  1  0.67635032  0.34427680  0.99821254  1
  C  C83  1  0.17635969  0.15571822  0.50176763  1
  C  C84  1  0.32368396  0.65568419  0.00178318  1
  C  C85  1  0.82367940  0.84432117  0.49820993  1
  C  C86  1  0.75816866  0.22733758  0.02985753  1
  C  C87  1  0.25816799  0.27266595  0.47014171  1
  C  C88  1  0.24189547  0.77256851  0.97009595  1
  C  C89  1  0.74189161  0.72743579  0.52990188  1
  C  C90  1  0.73421168  0.24528768  0.82585719  1
  C  C91  1  0.23419951  0.25469506  0.67413637  1
  C  C92  1  0.26576380  0.75472096  0.17413151  1
  C  C93  1  0.76574957  0.74527132  0.32586728  1
  C  C94  1  0.99017610  0.29743990  0.97690765  1
  C  C95  1  0.49019030  0.20255821  0.52308516  1
  C  C96  1  0.00983208  0.70243972  0.02303715  1
  C  C97  1  0.50984505  0.79755847  0.47695286  1
  N  N98  1  0.88243161  0.18150218  0.96349092  1
  N  N99  1  0.38242305  0.31848171  0.53651959  1
  N  N100  1  0.11759176  0.81842160  0.03645010  1
  N  N101  1  0.61758209  0.68156519  0.46355480  1
  N  N102  1  0.17575609  0.14361454  0.02218938  1
  N  N103  1  0.67578679  0.35638406  0.47781685  1
  N  N104  1  0.82438358  0.85624509  0.97778043  1
  N  N105  1  0.32441443  0.64374731  0.52221058  1
  N  N106  1  0.62013517  0.30021592  0.89781583  1
  N  N107  1  0.12013015  0.19977905  0.60216837  1
  N  N108  1  0.37987927  0.69979332  0.10219168  1
  N  N109  1  0.87986352  0.80022076  0.39780118  1
  O  O110  1  0.05194052  0.95692290  0.86498203  1
  O  O111  1  0.55193433  0.54299477  0.63506298  1
  O  O112  1  0.94743427  0.04420670  0.13477314  1
  O  O113  1  0.44736905  0.45551657  0.36527265  1
  O  O114  1  -0.01024803  0.94189944  0.63381900  1
  O  O115  1  0.48976117  0.55812315  0.86617572  1
  O  O116  1  1.01036340  0.05792673  0.36608418  1
  O  O117  1  0.51042551  0.44213066  0.13391353  1
  O  O118  1  0.90389220  0.41264468  0.63382038  1
  O  O119  1  0.40388186  0.08733358  0.86618172  1
  O  O120  1  0.09618541  0.58721941  0.36609690  1
  O  O121  1  0.59609720  0.91287484  0.13387870  1
  O  O122  1  0.05960634  0.65450177  0.65963296  1
  O  O123  1  0.55963321  0.84548246  0.84037905  1
  O  O124  1  0.94026952  0.34549875  0.34043725  1
  O  O125  1  0.44039232  0.15456359  0.15958248  1
  O  O126  1  0.30798177  0.83917493  0.73180548  1
  O  O127  1  0.80787995  0.66079331  0.76815850  1
  O  O128  1  0.69199639  0.16070005  0.26850826  1
  O  O129  1  0.19174552  0.33918905  0.23150530  1
  O  O130  1  0.04265266  0.51582129  0.81473885  1
  O  O131  1  0.54272571  0.98418092  0.68527477  1
  O  O132  1  0.95712435  0.48444889  0.18527699  1
  O  O133  1  0.45726034  0.01559476  0.31475250  1
