# generated using pymatgen
data_MnFe4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35254158
_cell_length_b   9.71461261
_cell_length_c   13.62670604
_cell_angle_alpha   103.63145982
_cell_angle_beta   90.00003143
_cell_angle_gamma   90.00014780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe4H32C12(NO2)6
_chemical_formula_sum   'Mn2 Fe8 H64 C24 N12 O24'
_cell_volume   1203.19800202
_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  0.09028848  0.84527823  0.73110304  1
  Fe  Fe1  1  0.59028599  0.65470820  0.76889840  1
  Fe  Fe2  1  0.90974596  0.15471771  0.26888840  1
  Fe  Fe3  1  0.40974450  0.34528095  0.23110892  1
  Fe  Fe4  1  0.93165391  0.53453846  0.72998692  1
  Fe  Fe5  1  0.43165610  0.96545523  0.77001638  1
  Fe  Fe6  1  0.06838865  0.46534798  0.26989652  1
  Fe  Fe7  1  0.56837349  0.03466063  0.23011789  1
  Mn  Mn8  1  0.00004851  0.99996025  1.00000709  1
  Mn  Mn9  1  0.50005254  0.50003831  0.49999074  1
  H  H10  1  0.18825451  0.19744764  0.08720392  1
  H  H11  1  0.68826427  0.30256375  0.41278592  1
  H  H12  1  0.81163622  0.80258460  0.91283605  1
  H  H13  1  0.31164484  0.69741531  0.58716684  1
  H  H14  1  0.27276241  0.09698983  0.98630770  1
  H  H15  1  0.77276592  0.40301260  0.51368302  1
  H  H16  1  0.72707737  0.90307247  0.01369781  1
  H  H17  1  0.22708080  0.59692417  0.48630823  1
  H  H18  1  0.53217960  0.46423806  0.87432154  1
  H  H19  1  0.03218542  0.03575158  0.62568032  1
  H  H20  1  0.46770818  0.53581079  0.12566936  1
  H  H21  1  0.96770275  0.96419121  0.37433328  1
  H  H22  1  0.51637407  0.22244010  0.89636446  1
  H  H23  1  0.01637164  0.27754830  0.60363777  1
  H  H24  1  0.48350798  0.77752276  0.10368790  1
  H  H25  1  0.98350334  0.72249282  0.39631413  1
  H  H26  1  0.75576572  0.03129261  0.85600196  1
  H  H27  1  0.25574850  0.46869898  0.64399606  1
  H  H28  1  0.24454920  0.96877731  0.14395835  1
  H  H29  1  0.74455250  0.53123142  0.35603873  1
  H  H30  1  0.89989555  0.10064920  0.79901964  1
  H  H31  1  0.39987595  0.39936095  0.70098404  1
  H  H32  1  0.10039108  0.89968892  0.20115015  1
  H  H33  1  0.60039474  0.60031742  0.29884455  1
  H  H34  1  0.20419498  0.32893184  0.96725834  1
  H  H35  1  0.70419982  0.17106534  0.53272147  1
  H  H36  1  0.79583011  0.67117662  0.03283430  1
  H  H37  1  0.29582711  0.82882274  0.46716958  1
  H  H38  1  0.16823915  0.17743665  0.87089909  1
  H  H39  1  0.66823150  0.32254782  0.62908953  1
  H  H40  1  0.83145610  0.82277280  0.12917354  1
  H  H41  1  0.33144605  0.67722387  0.37082897  1
  H  H42  1  0.57367497  0.39244177  0.07020387  1
  H  H43  1  0.07367039  0.10756301  0.42979616  1
  H  H44  1  0.42622694  0.60761963  0.92971167  1
  H  H45  1  0.92622485  0.89237836  0.57028905  1
  H  H46  1  0.73040425  0.44093075  -0.00115033  1
  H  H47  1  0.23040336  0.05906605  0.50115137  1
  H  H48  1  0.26952987  0.55914399  1.00119968  1
  H  H49  1  0.76952249  0.94086435  0.49880941  1
  H  H50  1  0.80397939  0.27979234  0.10484372  1
  H  H51  1  0.30397803  0.22020339  0.39515729  1
  H  H52  1  0.19585641  0.72034916  0.89523196  1
  H  H53  1  0.69585281  0.77964381  0.60476679  1
  H  H54  1  0.69729726  0.14154172  0.03425511  1
  H  H55  1  0.19729900  0.35845240  0.46574464  1
  H  H56  1  0.30259372  0.85853295  0.96577510  1
  H  H57  1  0.80259443  0.64146736  0.53421785  1
  H  H58  1  0.77554446  0.32333131  0.80838004  1
  H  H59  1  0.27554042  0.17666385  0.69161996  1
  H  H60  1  0.22445061  0.67681889  0.19178287  1
  H  H61  1  0.72444882  0.82318554  0.30821275  1
  H  H62  1  0.66157512  0.17963515  0.75385963  1
  H  H63  1  0.16157587  0.32035556  0.74614384  1
  H  H64  1  0.33859153  0.82042038  0.24614479  1
  H  H65  1  0.83860092  0.67958752  0.25385895  1
  H  H66  1  0.98407659  0.42616655  0.09872753  1
  H  H67  1  0.48413238  0.07388003  0.40131491  1
  H  H68  1  0.01602383  0.57336052  0.90096699  1
  H  H69  1  0.51602830  0.92663207  0.59903621  1
  H  H70  1  0.97234016  0.37189569  0.92046004  1
  H  H71  1  0.47234009  0.12809639  0.57953260  1
  H  H72  1  0.02767377  0.62788820  0.07936183  1
  H  H73  1  0.52766268  0.87211113  0.42063384  1
  C  C74  1  0.81409685  0.12870681  0.85455056  1
  C  C75  1  0.31409005  0.37128870  0.64544630  1
  C  C76  1  0.18606444  0.87150371  0.14554231  1
  C  C77  1  0.68606551  0.62850299  0.35445495  1
  C  C78  1  0.13793885  0.23278543  0.94817787  1
  C  C79  1  0.63793407  0.26720297  0.55180536  1
  C  C80  1  0.86194812  0.76740266  0.05192301  1
  C  C81  1  0.36194548  0.73259417  0.44807850  1
  C  C82  1  0.66844581  0.34421430  0.99705366  1
  C  C83  1  0.16844318  0.15578167  0.50294750  1
  C  C84  1  0.33149311  0.65586081  0.00295943  1
  C  C85  1  0.83148626  0.84414573  0.49704379  1
  C  C86  1  0.75976494  0.23544606  0.02999008  1
  C  C87  1  0.25976206  0.26454846  0.47000917  1
  C  C88  1  0.24016291  0.76462267  0.97006521  1
  C  C89  1  0.74016073  0.73537751  0.52993271  1
  C  C90  1  0.71346891  0.23482616  0.82411387  1
  C  C91  1  0.21346696  0.26516942  0.67588649  1
  C  C92  1  0.28657242  0.76523893  0.17592825  1
  C  C93  1  0.78657477  0.73477076  0.32407136  1
  C  C94  1  0.98839521  0.28000092  0.95535079  1
  C  C95  1  0.48839093  0.21997420  0.54461433  1
  C  C96  1  0.01154436  0.72024490  0.04494455  1
  C  C97  1  0.51154179  0.77975422  0.45504899  1
  N  N98  1  0.87675384  0.18587197  0.95651239  1
  N  N99  1  0.37674939  0.31411652  0.54348448  1
  N  N100  1  0.12317817  0.81429974  0.04363125  1
  N  N101  1  0.62317621  0.68570091  0.45636539  1
  N  N102  1  0.17437601  0.13784638  0.01372822  1
  N  N103  1  0.67437871  0.36215833  0.48626446  1
  N  N104  1  0.82550497  0.86223379  0.98629516  1
  N  N105  1  0.32550831  0.63776427  0.51370770  1
  N  N106  1  0.60558805  0.29372912  0.90026869  1
  N  N107  1  0.10558506  0.20626433  0.59973250  1
  N  N108  1  0.39435646  0.70634004  0.09974908  1
  N  N109  1  0.89435275  0.79367337  0.40025354  1
  O  O110  1  0.03750589  0.93473398  0.86357316  1
  O  O111  1  0.53751273  0.56525890  0.63642596  1
  O  O112  1  0.96267251  0.06511499  0.13645245  1
  O  O113  1  0.46266364  0.43488636  0.36354641  1
  O  O114  1  -0.01178160  0.94847042  0.63899255  1
  O  O115  1  0.48821121  0.55151718  0.86100613  1
  O  O116  1  1.01168231  0.05147997  0.36105826  1
  O  O117  1  0.51169277  0.44852536  0.13894422  1
  O  O118  1  0.88970274  0.38525456  0.62957252  1
  O  O119  1  0.38971458  0.11474384  0.87042855  1
  O  O120  1  0.11076349  0.61467024  0.37012488  1
  O  O121  1  0.61075786  0.88534701  0.12987898  1
  O  O122  1  0.05428562  0.65490987  0.68295355  1
  O  O123  1  0.55427314  0.84507408  0.81705177  1
  O  O124  1  0.94570584  0.34509459  0.31699707  1
  O  O125  1  0.44567556  0.15490643  0.18300490  1
  O  O126  1  0.28108042  0.85792606  0.70030176  1
  O  O127  1  0.78108030  0.64207447  0.79969856  1
  O  O128  1  0.71890657  0.14248149  0.29966217  1
  O  O129  1  0.21890848  0.35753918  0.20032314  1
  O  O130  1  0.02531645  0.48765692  0.84643936  1
  O  O131  1  0.52532720  1.01232729  0.65356877  1
  O  O132  1  0.97474447  0.51180566  0.15333216  1
  O  O133  1  0.47475724  -0.01175975  0.34670928  1
