# generated using pymatgen
data_Mn3H27C36N4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.85698908
_cell_length_b   17.85706485
_cell_length_c   26.59074132
_cell_angle_alpha   90.00011067
_cell_angle_beta   90.00054133
_cell_angle_gamma   120.00019676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3H27C36N4O9
_chemical_formula_sum   'Mn12 H108 C144 N16 O36'
_cell_volume   7343.08447834
_cell_formula_units_Z   4
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  0.13035953  0.00022593  0.53986060  1
  Mn  Mn1  1  0.99977392  0.13012827  0.53986099  1
  Mn  Mn2  1  0.86986840  0.86963809  0.53985985  1
  Mn  Mn3  1  0.86987314  0.00023353  0.03986063  1
  Mn  Mn4  1  0.99977073  0.86964267  0.03986109  1
  Mn  Mn5  1  0.13036051  0.13013141  0.03986110  1
  Mn  Mn6  1  0.00023046  0.13036080  0.96013505  1
  Mn  Mn7  1  0.13013012  0.99977028  0.96013600  1
  Mn  Mn8  1  0.86963783  0.86987099  0.96013545  1
  Mn  Mn9  1  0.00022698  0.86986592  0.46013592  1
  Mn  Mn10  1  0.86964066  0.99976926  0.46013520  1
  Mn  Mn11  1  0.13013147  0.13035708  0.46013580  1
  H  H12  1  0.00031019  0.84373787  0.55664365  1
  H  H13  1  0.15626277  0.15656862  0.55664345  1
  H  H14  1  0.84343220  0.99968854  0.55664293  1
  H  H15  1  0.00031283  0.15657100  0.05664330  1
  H  H16  1  0.84342947  0.84374509  0.05664325  1
  H  H17  1  0.15626185  0.99969050  0.05664334  1
  H  H18  1  0.84374275  0.00031386  0.94335113  1
  H  H19  1  0.15657056  0.15625795  0.94335264  1
  H  H20  1  0.99968378  0.84342517  0.94335342  1
  H  H21  1  0.15656916  0.00030783  0.44335262  1
  H  H22  1  0.84373856  0.84342695  0.44335187  1
  H  H23  1  0.99969032  0.15625760  0.44335316  1
  H  H24  1  0.11011624  0.70547173  0.44798773  1
  H  H25  1  0.29452866  0.40464233  0.44799163  1
  H  H26  1  0.59535372  0.88988044  0.44798180  1
  H  H27  1  0.89025408  0.29511625  0.94804835  1
  H  H28  1  0.70488182  0.59513275  0.94804693  1
  H  H29  1  0.40485952  0.10975021  0.94805499  1
  H  H30  1  0.70548133  0.11012242  0.05201243  1
  H  H31  1  0.40464970  0.29452591  0.05202167  1
  H  H32  1  0.88987543  0.59536465  0.05201796  1
  H  H33  1  0.29510848  0.89024513  0.55195464  1
  H  H34  1  0.59514094  0.70489383  0.55194903  1
  H  H35  1  0.10974815  0.40485762  0.55195157  1
  H  H36  1  0.88989095  0.29452574  0.55200749  1
  H  H37  1  0.70547498  0.59535313  0.55200830  1
  H  H38  1  0.40464177  0.11011361  0.55200654  1
  H  H39  1  0.10975773  0.70489869  0.05196022  1
  H  H40  1  0.29510722  0.40486082  0.05195809  1
  H  H41  1  0.59513847  0.89024823  0.05196372  1
  H  H42  1  0.29452366  0.88987906  0.94798799  1
  H  H43  1  0.59535764  0.70547339  0.94799982  1
  H  H44  1  0.11011473  0.40464360  0.94799185  1
  H  H45  1  0.70488717  0.10974787  0.44804629  1
  H  H46  1  0.40486487  0.29510927  0.44804257  1
  H  H47  1  0.89024498  0.59513514  0.44804104  1
  H  H48  1  0.18876404  0.62221089  0.44911970  1
  H  H49  1  0.37778662  0.56655000  0.44912237  1
  H  H50  1  0.43344077  0.81122919  0.44911634  1
  H  H51  1  0.81120498  0.37799492  0.94910343  1
  H  H52  1  0.62201119  0.43320764  0.94909937  1
  H  H53  1  0.56678716  0.18879654  0.94910655  1
  H  H54  1  0.62221914  0.18876800  0.05088147  1
  H  H55  1  0.56655880  0.37778394  0.05088968  1
  H  H56  1  0.81123414  0.43345379  0.05088525  1
  H  H57  1  0.37798745  0.81119609  0.55090183  1
  H  H58  1  0.43321393  0.62201483  0.55089867  1
  H  H59  1  0.18879530  0.56678517  0.55089841  1
  H  H60  1  0.81124131  0.37778735  0.55087771  1
  H  H61  1  0.62221858  0.43344536  0.55088010  1
  H  H62  1  0.56655183  0.18876243  0.55087823  1
  H  H63  1  0.18880485  0.62201936  0.05090920  1
  H  H64  1  0.37798684  0.56678742  0.05090652  1
  H  H65  1  0.43321073  0.81119671  0.05091175  1
  H  H66  1  0.37778475  0.81122839  0.94912197  1
  H  H67  1  0.43344766  0.62220778  0.94913395  1
  H  H68  1  0.18876450  0.56655417  0.94912577  1
  H  H69  1  0.62200925  0.18879641  0.44910127  1
  H  H70  1  0.56679304  0.37798774  0.44909858  1
  H  H71  1  0.81119933  0.43320746  0.44909684  1
  H  H72  1  0.09287331  0.86584693  0.62122364  1
  H  H73  1  0.13415677  0.22701489  0.62122516  1
  H  H74  1  0.77297578  0.90713190  0.62122219  1
  H  H75  1  0.90672106  0.13375288  0.12111230  1
  H  H76  1  0.86625260  0.77296927  0.12111032  1
  H  H77  1  0.22703571  0.09329084  0.12111182  1
  H  H78  1  0.86583928  0.09286914  0.87877193  1
  H  H79  1  0.22703011  0.13416655  0.87877276  1
  H  H80  1  0.90712390  0.77296647  0.87877312  1
  H  H81  1  0.13374790  0.90670779  0.37888830  1
  H  H82  1  0.77296484  0.86625127  0.37888437  1
  H  H83  1  0.09328717  0.22703716  0.37888687  1
  H  H84  1  0.90713741  0.13415893  0.37877349  1
  H  H85  1  0.86583945  0.77297168  0.37877196  1
  H  H86  1  0.22701658  0.09285909  0.37877266  1
  H  H87  1  0.09329340  0.86625849  0.87888588  1
  H  H88  1  0.13374771  0.22704292  0.87888668  1
  H  H89  1  0.77295678  0.90670670  0.87888467  1
  H  H90  1  0.13416182  0.90714359  0.12122718  1
  H  H91  1  0.77297907  0.86584545  0.12122341  1
  H  H92  1  0.09285963  0.22702198  0.12122553  1
  H  H93  1  0.86624790  0.09328299  0.62110951  1
  H  H94  1  0.22704119  0.13375443  0.62111032  1
  H  H95  1  0.90671676  0.77296503  0.62111100  1
  H  H96  1  0.08678030  0.85928367  0.71389957  1
  H  H97  1  0.14072024  0.22749130  0.71390122  1
  H  H98  1  0.77249948  0.91322066  0.71389821  1
  H  H99  1  0.91285033  0.14058215  0.21378280  1
  H  H100  1  0.85942064  0.77227093  0.21378051  1
  H  H101  1  0.22773682  0.08716018  0.21378202  1
  H  H102  1  0.85927481  0.08677585  0.78609584  1
  H  H103  1  0.22749801  0.14072891  0.78609686  1
  H  H104  1  0.91321400  0.77249178  0.78609729  1
  H  H105  1  0.14057977  0.91284592  0.28621782  1
  H  H106  1  0.77227056  0.85942211  0.28621371  1
  H  H107  1  0.08715359  0.22773534  0.28621625  1
  H  H108  1  0.91322655  0.14072420  0.28609768  1
  H  H109  1  0.85927638  0.77250089  0.28609588  1
  H  H110  1  0.22748879  0.08676898  0.28609670  1
  H  H111  1  0.08714906  0.85942662  0.78621535  1
  H  H112  1  0.14057813  0.22773873  0.78621610  1
  H  H113  1  0.77226442  0.91284398  0.78621422  1
  H  H114  1  0.14072351  0.91323067  0.21390287  1
  H  H115  1  0.77249955  0.85928024  0.21389912  1
  H  H116  1  0.08677422  0.22749922  0.21390138  1
  H  H117  1  0.85941714  0.08715134  0.71378001  1
  H  H118  1  0.22773429  0.14058593  0.71378087  1
  H  H119  1  0.91285177  0.77227125  0.71378161  1
  C  C120  1  0.15088853  0.85008111  0.49982077  1
  C  C121  1  0.14991868  0.30080321  0.49982144  1
  C  C122  1  0.69919381  0.84910905  0.49981750  1
  C  C123  1  0.85009032  0.15089580  0.00018089  1
  C  C124  1  0.84910077  0.69919594  0.00018151  1
  C  C125  1  0.30080718  0.14992103  0.00018502  1
  C  C126  1  0.84910996  0.14991177  0.50017388  1
  C  C127  1  0.85008033  0.69919089  0.50017502  1
  C  C128  1  0.30080644  0.15088781  0.50017240  1
  C  C129  1  0.14991411  0.84910893  0.99982293  1
  C  C130  1  0.15089034  0.30080603  0.99982374  1
  C  C131  1  0.69919487  0.85009502  0.99982292  1
  C  C132  1  0.19867211  0.80194229  0.49992049  1
  C  C133  1  0.19805444  0.39672533  0.49992126  1
  C  C134  1  0.60327095  0.80132890  0.49991478  1
  C  C135  1  0.80195210  0.19867954  0.00008107  1
  C  C136  1  0.80131984  0.60327334  0.00008295  1
  C  C137  1  0.39672997  0.19805627  0.00008729  1
  C  C138  1  0.80133004  0.19805397  0.50007768  1
  C  C139  1  0.80194480  0.60326888  0.50007542  1
  C  C140  1  0.39672909  0.19867096  0.50007492  1
  C  C141  1  0.19805717  0.80132956  0.99992254  1
  C  C142  1  0.19867046  0.39672835  0.99992380  1
  C  C143  1  0.60327251  0.80194862  0.99992781  1
  C  C144  1  0.16827086  0.72684297  0.47069793  1
  C  C145  1  0.27315594  0.44142316  0.47069910  1
  C  C146  1  0.55856464  0.83171684  0.47069667  1
  C  C147  1  0.83208889  0.27364726  0.97077830  1
  C  C148  1  0.72635230  0.55844140  0.97077687  1
  C  C149  1  0.44155678  0.16791410  0.97078337  1
  C  C150  1  0.72685206  0.16827609  0.02930369  1
  C  C151  1  0.44143145  0.27315400  0.02931056  1
  C  C152  1  0.83172115  0.55857739  0.02930622  1
  C  C153  1  0.27364029  0.83208098  0.52922496  1
  C  C154  1  0.55844918  0.72635744  0.52922348  1
  C  C155  1  0.16791529  0.44155535  0.52922275  1
  C  C156  1  0.83172554  0.27315091  0.52929583  1
  C  C157  1  0.72684556  0.55857218  0.52930026  1
  C  C158  1  0.44142711  0.16827050  0.52929722  1
  C  C159  1  0.16791280  0.72636143  0.02923225  1
  C  C160  1  0.27364118  0.44155361  0.02923110  1
  C  C161  1  0.55844364  0.83208604  0.02923461  1
  C  C162  1  0.27315123  0.83171858  0.97070281  1
  C  C163  1  0.55857277  0.72684606  0.97070934  1
  C  C164  1  0.16827603  0.44143102  0.97070471  1
  C  C165  1  0.72635537  0.16790642  0.47077259  1
  C  C166  1  0.44155932  0.27364085  0.47077182  1
  C  C167  1  0.83207966  0.55843716  0.47077275  1
  C  C168  1  0.21153473  0.68072312  0.47162758  1
  C  C169  1  0.31927541  0.53080968  0.47162865  1
  C  C170  1  0.46919180  0.78845858  0.47162666  1
  C  C171  1  0.78860342  0.31954100  0.97166071  1
  C  C172  1  0.68046101  0.46905898  0.97165834  1
  C  C173  1  0.53093861  0.21140010  0.97166440  1
  C  C174  1  0.68073090  0.21153984  0.02837455  1
  C  C175  1  0.53081511  0.31927207  0.02838079  1
  C  C176  1  0.78846175  0.46919521  0.02837657  1
  C  C177  1  0.31953513  0.78859501  0.52834394  1
  C  C178  1  0.46905784  0.68045747  0.52834282  1
  C  C179  1  0.21139951  0.53093368  0.52834108  1
  C  C180  1  0.78846658  0.31926626  0.52836814  1
  C  C181  1  0.68072606  0.46918467  0.52837242  1
  C  C182  1  0.53080960  0.21153382  0.52836975  1
  C  C183  1  0.21140279  0.68046266  0.02835197  1
  C  C184  1  0.31953912  0.53094040  0.02835027  1
  C  C185  1  0.46906092  0.78859665  0.02835363  1
  C  C186  1  0.31926656  0.78845933  0.97163296  1
  C  C187  1  0.46919080  0.68072480  0.97164002  1
  C  C188  1  0.21153636  0.53080744  0.97163515  1
  C  C189  1  0.68045718  0.21139668  0.47165567  1
  C  C190  1  0.53094165  0.31953568  0.47165533  1
  C  C191  1  0.78859729  0.46905988  0.47165553  1
  C  C192  1  0.28778420  0.71236523  0.49997456  1
  C  C193  1  0.28762946  0.57541448  0.49997458  1
  C  C194  1  0.42458158  0.71221466  0.49997165  1
  C  C195  1  0.71237365  0.28778975  0.00002860  1
  C  C196  1  0.71221470  0.42458418  0.00002899  1
  C  C197  1  0.57541985  0.28763120  0.00003189  1
  C  C198  1  0.71221723  0.28763014  0.50002659  1
  C  C199  1  0.71237127  0.42457937  0.50002529  1
  C  C200  1  0.57541858  0.28778347  0.50002534  1
  C  C201  1  0.28763333  0.71221650  0.99997972  1
  C  C202  1  0.28778291  0.57541689  0.99998052  1
  C  C203  1  0.42458258  0.71236729  0.99998383  1
  C  C204  1  0.15446635  0.99995730  0.72268065  1
  C  C205  1  0.00004603  0.15451048  0.72268094  1
  C  C206  1  0.84548553  0.84553343  0.72268043  1
  C  C207  1  0.84548984  0.99995375  0.22268123  1
  C  C208  1  0.00004926  0.84553924  0.22268211  1
  C  C209  1  0.15446206  0.15451350  0.22268204  1
  C  C210  1  0.99994906  0.15446509  0.77731567  1
  C  C211  1  0.15451453  0.00005530  0.77731552  1
  C  C212  1  0.84553127  0.84548239  0.77731538  1
  C  C213  1  0.99995063  0.84548766  0.27731668  1
  C  C214  1  0.84553848  0.00005074  0.27731559  1
  C  C215  1  0.15450957  0.15446336  0.27731633  1
  C  C216  1  0.11779211  0.92499442  0.64332005  1
  C  C217  1  0.07500888  0.19279032  0.64332117  1
  C  C218  1  0.80720268  0.88221114  0.64331934  1
  C  C219  1  0.88192801  0.07467984  0.14325750  1
  C  C220  1  0.92532522  0.80725058  0.14325653  1
  C  C221  1  0.19275337  0.11808072  0.14325751  1
  C  C222  1  0.92498691  0.11778952  0.85667568  1
  C  C223  1  0.19280271  0.07501832  0.85667652  1
  C  C224  1  0.88220451  0.80719479  0.85667633  1
  C  C225  1  0.07467550  0.88191820  0.35674176  1
  C  C226  1  0.80724716  0.92532420  0.35673916  1
  C  C227  1  0.11807675  0.19275495  0.35674093  1
  C  C228  1  0.88221638  0.07501167  0.35667650  1
  C  C229  1  0.92498710  0.80719946  0.35667615  1
  C  C230  1  0.19279116  0.11778161  0.35667641  1
  C  C231  1  0.11808359  0.92533107  0.85674028  1
  C  C232  1  0.07467504  0.19276030  0.85674048  1
  C  C233  1  0.80723838  0.88191562  0.85673944  1
  C  C234  1  0.07501318  0.88222088  0.14332256  1
  C  C235  1  0.80720642  0.92499265  0.14332026  1
  C  C236  1  0.11778213  0.19279651  0.14332179  1
  C  C237  1  0.92532037  0.11807413  0.64325586  1
  C  C238  1  0.19275958  0.07468207  0.64325602  1
  C  C239  1  0.88192387  0.80724517  0.64325637  1
  C  C240  1  0.11654178  0.92208926  0.69539543  1
  C  C241  1  0.07791473  0.19444949  0.69539661  1
  C  C242  1  0.80554385  0.88345969  0.69539460  1
  C  C243  1  0.88324477  0.07773947  0.19533218  1
  C  C244  1  0.92226411  0.80550799  0.19533111  1
  C  C245  1  0.19449605  0.11676242  0.19533217  1
  C  C246  1  0.92208053  0.11653906  0.80460037  1
  C  C247  1  0.19445689  0.07792360  0.80460095  1
  C  C248  1  0.88345439  0.80553787  0.80460104  1
  C  C249  1  0.07773645  0.88323977  0.30466722  1
  C  C250  1  0.80550642  0.92226472  0.30466453  1
  C  C251  1  0.11675791  0.19449679  0.30466627  1
  C  C252  1  0.88346486  0.07791871  0.30460121  1
  C  C253  1  0.92208181  0.80554415  0.30460076  1
  C  C254  1  0.19444858  0.11653374  0.30460109  1
  C  C255  1  0.11676030  0.92227042  0.80466559  1
  C  C256  1  0.07773485  0.19449995  0.80466587  1
  C  C257  1  0.80549933  0.88323620  0.80466460  1
  C  C258  1  0.07791822  0.88346771  0.19539792  1
  C  C259  1  0.80554650  0.92208578  0.19539556  1
  C  C260  1  0.11653534  0.19445527  0.19539706  1
  C  C261  1  0.92226011  0.11675651  0.69533058  1
  C  C262  1  0.19449867  0.07774265  0.69533069  1
  C  C263  1  0.88324224  0.80550452  0.69533094  1
  N  N264  1  0.14945025  0.99980786  0.61771732  1
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  N  N277  1  0.66666969  0.33333468  0.00004735  1
  N  N278  1  0.66666802  0.33332994  0.50004668  1
  N  N279  1  0.33333275  0.66666620  0.99996442  1
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  O  O314  1  0.26352926  0.09282326  0.53363999  1
  O  O315  1  0.82929201  0.73646742  0.53364151  1
