# generated using pymatgen
data_Fe5H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35622105
_cell_length_b   9.71386559
_cell_length_c   13.62821299
_cell_angle_alpha   103.61064476
_cell_angle_beta   90.00002309
_cell_angle_gamma   90.00014122
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5H32C12(NO2)6
_chemical_formula_sum   'Fe10 H64 C24 N12 O24'
_cell_volume   1203.81787402
_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  0.08813670  0.84273088  0.72959423  1
  Fe  Fe1  1  0.58813403  0.65726423  0.77040425  1
  Fe  Fe2  1  0.91178264  0.15734883  0.27040199  1
  Fe  Fe3  1  0.41179239  0.34265683  0.22960003  1
  Fe  Fe4  1  0.92681948  0.53004751  0.72563431  1
  Fe  Fe5  1  0.42681823  0.96994651  0.77437471  1
  Fe  Fe6  1  0.07315898  0.46985993  0.27434556  1
  Fe  Fe7  1  0.57316714  0.03013788  0.22564629  1
  Fe  Fe8  1  0.00025270  0.99968368  1.00007367  1
  Fe  Fe9  1  0.50025353  0.50031285  0.49992666  1
  H  H10  1  0.19257013  0.19787733  0.08808098  1
  H  H11  1  0.69255221  0.30211155  0.41191196  1
  H  H12  1  0.80744670  0.80192583  0.91188960  1
  H  H13  1  0.30746997  0.69808822  0.58811589  1
  H  H14  1  0.28168148  0.09986571  0.98855445  1
  H  H15  1  0.78166760  0.40014220  0.51143861  1
  H  H16  1  0.71838125  0.90000983  0.01146376  1
  H  H17  1  0.21839326  0.59998248  0.48855210  1
  H  H18  1  0.53089669  0.46510532  0.87567900  1
  H  H19  1  0.03090158  0.03489041  0.62432543  1
  H  H20  1  0.46900357  0.53492006  0.12440726  1
  H  H21  1  0.96899566  0.96508726  0.37559348  1
  H  H22  1  0.51503844  0.22687091  0.89808312  1
  H  H23  1  0.01504448  0.27312653  0.60191354  1
  H  H24  1  0.48490476  0.77316118  0.10199863  1
  H  H25  1  0.98489046  0.72684454  0.39800502  1
  H  H26  1  0.74279290  0.02854020  0.85892557  1
  H  H27  1  0.24279621  0.47145443  0.64107536  1
  H  H28  1  0.25728180  0.97152577  0.14107049  1
  H  H29  1  0.75729224  0.52848499  0.35892693  1
  H  H30  1  0.88940985  0.08633565  0.79695649  1
  H  H31  1  0.38941337  0.41366761  0.70304811  1
  H  H32  1  0.11050965  0.91380255  0.20295009  1
  H  H33  1  0.61051641  0.58619305  0.29704019  1
  H  H34  1  0.20388408  0.32440725  0.96486338  1
  H  H35  1  0.70388613  0.17557973  0.53513092  1
  H  H36  1  0.79630627  0.67536963  0.03519475  1
  H  H37  1  0.29631773  0.82464796  0.46481264  1
  H  H38  1  0.17317220  0.16974111  0.87068512  1
  H  H39  1  0.67319275  0.33024584  0.62930794  1
  H  H40  1  0.82691688  0.83011773  0.12931976  1
  H  H41  1  0.32688256  0.66989272  0.37068532  1
  H  H42  1  0.57793026  0.39273487  0.07236825  1
  H  H43  1  0.07792888  0.10726898  0.42762466  1
  H  H44  1  0.42197224  0.60728687  0.92774460  1
  H  H45  1  0.92197245  0.89271467  0.57225790  1
  H  H46  1  0.73596916  0.43857323  -0.00089513  1
  H  H47  1  0.23596980  0.06142103  0.50089691  1
  H  H48  1  0.26399819  0.56145421  1.00085534  1
  H  H49  1  0.76399356  0.93854813  0.49914483  1
  H  H50  1  0.80962091  0.27817063  0.10391330  1
  H  H51  1  0.30962571  0.22182793  0.39609106  1
  H  H52  1  0.19050978  0.72194588  0.89603121  1
  H  H53  1  0.69050384  0.77804684  0.60396105  1
  H  H54  1  0.69799097  0.14131048  0.03745541  1
  H  H55  1  0.19799059  0.35868269  0.46254712  1
  H  H56  1  0.30221807  0.85870740  0.96250925  1
  H  H57  1  0.80221946  0.64129139  0.53748260  1
  H  H58  1  0.77987257  0.31972958  0.81080383  1
  H  H59  1  0.27987310  0.18027481  0.68919868  1
  H  H60  1  0.21994560  0.68048891  0.18930497  1
  H  H61  1  0.71993562  0.81950528  0.31069163  1
  H  H62  1  0.65990672  0.18176820  0.75415449  1
  H  H63  1  0.15990502  0.31822574  0.74584990  1
  H  H64  1  0.34003985  0.81836504  0.24586039  1
  H  H65  1  0.84004722  0.68165038  0.25413483  1
  H  H66  1  0.98472739  0.43729734  0.10604680  1
  H  H67  1  0.48474736  0.06268906  0.39393348  1
  H  H68  1  0.01529802  0.56278675  0.89389767  1
  H  H69  1  0.51528992  0.93723788  0.60611423  1
  H  H70  1  0.97212085  0.36339475  0.91936521  1
  H  H71  1  0.47213538  0.13662033  0.58065838  1
  H  H72  1  0.02804090  0.63672713  0.08072384  1
  H  H73  1  0.52803828  0.86326174  0.41926456  1
  C  C74  1  0.80741193  0.12119378  0.85444106  1
  C  C75  1  0.30741510  0.37880490  0.64556404  1
  C  C76  1  0.19258700  0.87891252  0.14553054  1
  C  C77  1  0.69259139  0.62108937  0.35446135  1
  C  C78  1  0.14066512  0.22626183  0.94756323  1
  C  C79  1  0.64067349  0.27372953  0.55243190  1
  C  C80  1  0.85938274  0.77360806  0.05243440  1
  C  C81  1  0.35937628  0.72639657  0.44756561  1
  C  C82  1  0.67262432  0.34279518  0.99765649  1
  C  C83  1  0.17262803  0.15720111  0.50234474  1
  C  C84  1  0.32734973  0.65723961  0.00237648  1
  C  C85  1  0.82734484  0.84276371  0.49762261  1
  C  C86  1  0.76249133  0.23249775  0.03022274  1
  C  C87  1  0.26249610  0.26749987  0.46978164  1
  C  C88  1  0.23761018  0.76757540  0.96973842  1
  C  C89  1  0.73760722  0.73242060  0.53025403  1
  C  C90  1  0.71329511  0.23296773  0.82491485  1
  C  C91  1  0.21329285  0.26703289  0.67508847  1
  C  C92  1  0.28662649  0.76712298  0.17510971  1
  C  C93  1  0.78662804  0.73288266  0.32488707  1
  C  C94  1  0.99001368  0.26959956  0.95201442  1
  C  C95  1  0.49001965  0.23040587  0.54799785  1
  C  C96  1  0.01006106  0.73037657  0.04796227  1
  C  C97  1  0.51005787  0.76960906  0.45202242  1
  N  N98  1  0.87744332  0.17607939  0.95511223  1
  N  N99  1  0.37744864  0.32392054  0.54489331  1
  N  N100  1  0.12259735  0.82407661  0.04482423  1
  N  N101  1  0.62259428  0.67591586  0.45516620  1
  N  N102  1  0.18101887  0.13588250  0.01527023  1
  N  N103  1  0.68100876  0.36410957  0.48472298  1
  N  N104  1  0.81899861  0.86392412  0.98470399  1
  N  N105  1  0.31900777  0.63608636  0.51530110  1
  N  N106  1  0.60718293  0.29500213  0.90159354  1
  N  N107  1  0.10718384  0.20499521  0.59840691  1
  N  N108  1  0.39274971  0.70501951  0.09846036  1
  N  N109  1  0.89274681  0.79499018  0.40153801  1
  O  O110  1  0.03811671  0.93185975  0.86349345  1
  O  O111  1  0.53812929  0.56813345  0.63650407  1
  O  O112  1  0.96166312  0.06829283  0.13646787  1
  O  O113  1  0.46163614  0.43173257  0.36353585  1
  O  O114  1  -0.01406096  0.94888969  0.63910559  1
  O  O115  1  0.48593875  0.55110782  0.86089766  1
  O  O116  1  1.01394120  0.05108967  0.36080367  1
  O  O117  1  0.51394734  0.44891455  0.13919306  1
  O  O118  1  0.88647892  0.37825230  0.62597822  1
  O  O119  1  0.38647681  0.12175723  0.87401901  1
  O  O120  1  0.11351530  0.62175020  0.37389215  1
  O  O121  1  0.61352524  0.87824078  0.12610071  1
  O  O122  1  0.04739058  0.65374456  0.67942721  1
  O  O123  1  0.54740891  0.84625724  0.82056438  1
  O  O124  1  0.95266663  0.34627447  0.32073592  1
  O  O125  1  0.45263644  0.15371523  0.17929199  1
  O  O126  1  0.27912777  0.86015852  0.70125864  1
  O  O127  1  0.77912189  0.63983553  0.79874204  1
  O  O128  1  0.72078623  0.14002293  0.29877169  1
  O  O129  1  0.22080158  0.35999628  0.20122541  1
  O  O130  1  0.02194352  0.47650657  0.84013514  1
  O  O131  1  0.52194056  1.02351008  0.65988428  1
  O  O132  1  0.97775729  0.52337055  0.15994848  1
  O  O133  1  0.47781155  -0.02340645  0.34004464  1
