# generated using pymatgen
data_Fe2Co3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35888878
_cell_length_b   9.71741003
_cell_length_c   13.65461762
_cell_angle_alpha   103.55073930
_cell_angle_beta   90.00003608
_cell_angle_gamma   90.00016437
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Co3H32C12(NO2)6
_chemical_formula_sum   'Fe4 Co6 H64 C24 N12 O24'
_cell_volume   1207.23928441
_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  0.09348262  0.85512297  0.73254731  1
  Fe  Fe1  1  0.59349678  0.64487818  0.76745854  1
  Fe  Fe2  1  0.90651022  0.14487322  0.26745088  1
  Fe  Fe3  1  0.40650477  0.35514276  0.23255079  1
  Co  Co4  1  0.94355089  0.55196883  0.73302836  1
  Co  Co5  1  0.44351916  0.94801540  0.76695811  1
  Co  Co6  1  0.05644989  0.44803991  0.26698479  1
  Co  Co7  1  0.55645544  0.05197899  0.23302048  1
  Co  Co8  1  0.00000377  0.99999207  1.00000200  1
  Co  Co9  1  0.50002162  0.50004385  0.49999476  1
  H  H10  1  0.18353580  0.19881606  0.09214604  1
  H  H11  1  0.68352415  0.30117813  0.40784835  1
  H  H12  1  0.81645639  0.80119325  0.90785966  1
  H  H13  1  0.31645229  0.69880462  0.59214425  1
  H  H14  1  0.27204163  0.09839127  0.99393362  1
  H  H15  1  0.77202422  0.40160852  0.50606000  1
  H  H16  1  0.72795286  0.90161357  0.00607381  1
  H  H17  1  0.22795517  0.59837242  0.49392927  1
  H  H18  1  0.53196477  0.46387858  0.87185228  1
  H  H19  1  0.03196628  0.03609542  0.62811871  1
  H  H20  1  0.46803285  0.53611972  0.12814430  1
  H  H21  1  0.96802974  0.96390811  0.37188570  1
  H  H22  1  0.53317659  0.21809262  0.89312725  1
  H  H23  1  0.03317680  0.28188680  0.60686536  1
  H  H24  1  0.46682134  0.78191032  0.10686977  1
  H  H25  1  0.96682468  0.71811431  0.39313760  1
  H  H26  1  0.77347622  0.03175255  0.85409919  1
  H  H27  1  0.27346616  0.46823012  0.64589654  1
  H  H28  1  0.22651743  0.96824713  0.14589703  1
  H  H29  1  0.72653356  0.53176532  0.35410270  1
  H  H30  1  0.91914508  0.11003009  0.80667134  1
  H  H31  1  0.41913397  0.38995857  0.69333002  1
  H  H32  1  0.08085114  0.88996810  0.19332481  1
  H  H33  1  0.58086550  0.61003977  0.30667223  1
  H  H34  1  0.21430132  0.32735482  0.96625587  1
  H  H35  1  0.71430030  0.17264514  0.53374049  1
  H  H36  1  0.78569897  0.67264538  0.03374316  1
  H  H37  1  0.28569860  0.82734714  0.46625790  1
  H  H38  1  0.15311395  0.17799728  0.87554866  1
  H  H39  1  0.65310826  0.32199822  0.62444969  1
  H  H40  1  0.84689181  0.82199988  0.12445229  1
  H  H41  1  0.34689453  0.67799125  0.37555178  1
  H  H42  1  0.58105714  0.38252643  0.06273674  1
  H  H43  1  0.08106004  0.11750395  0.43727447  1
  H  H44  1  0.41894566  0.61746544  0.93725764  1
  H  H45  1  0.91893892  0.88250433  0.56272906  1
  H  H46  1  0.73915250  0.43227721  0.00038173  1
  H  H47  1  0.23915317  0.06770651  0.49961485  1
  H  H48  1  0.26085000  0.56772123  0.99961808  1
  H  H49  1  0.76084415  0.93229251  0.50038492  1
  H  H50  1  0.79793332  0.26722605  0.10765414  1
  H  H51  1  0.29793635  0.23275677  0.39234262  1
  H  H52  1  0.20206608  0.73276542  0.89234239  1
  H  H53  1  0.70206613  0.76724240  0.60765932  1
  H  H54  1  0.69302026  0.13308215  0.03111590  1
  H  H55  1  0.19301480  0.36689975  0.46888061  1
  H  H56  1  0.30698002  0.86691360  0.96887904  1
  H  H57  1  0.80699230  0.63310050  0.53112002  1
  H  H58  1  0.78962756  0.32716668  0.81305441  1
  H  H59  1  0.28961859  0.17281967  0.68694468  1
  H  H60  1  0.21037558  0.67283684  0.18694716  1
  H  H61  1  0.71038508  0.82717623  0.31304968  1
  H  H62  1  0.68120824  0.18023263  0.75457928  1
  H  H63  1  0.18119398  0.31975627  0.74541666  1
  H  H64  1  0.31879442  0.81977385  0.24541825  1
  H  H65  1  0.81881240  0.68023711  0.25458438  1
  H  H66  1  0.98336443  0.36297221  0.05205454  1
  H  H67  1  0.48336336  0.13701682  0.44794330  1
  H  H68  1  0.01663512  0.63702192  0.94794057  1
  H  H69  1  0.51663739  0.86298125  0.55206327  1
  H  H70  1  0.97064422  0.36360833  0.91933171  1
  H  H71  1  0.47064558  0.13638192  0.58067024  1
  H  H72  1  0.02935735  0.63639200  0.08066549  1
  H  H73  1  0.52935541  0.86360546  0.41933475  1
  C  C74  1  0.82933699  0.13216715  0.85901189  1
  C  C75  1  0.32933131  0.36782031  0.64098550  1
  C  C76  1  0.17065989  0.86783089  0.14098501  1
  C  C77  1  0.67067127  0.63217750  0.35901355  1
  C  C78  1  0.13945875  0.23771993  0.95370780  1
  C  C79  1  0.63945316  0.26227351  0.54628929  1
  C  C80  1  0.86054169  0.76227995  0.04629103  1
  C  C81  1  0.36054254  0.73771293  0.45371201  1
  C  C82  1  0.67089553  0.34004484  0.99919702  1
  C  C83  1  0.17090110  0.15994786  0.50080011  1
  C  C84  1  0.32910443  0.65995370  0.00080159  1
  C  C85  1  0.82909728  0.84005305  0.49920019  1
  C  C86  1  0.75915129  0.22625436  0.03110864  1
  C  C87  1  0.25915460  0.27373186  0.46889153  1
  C  C88  1  0.24084893  0.77374191  0.96888781  1
  C  C89  1  0.74084914  0.72626789  0.53111180  1
  C  C90  1  0.72794201  0.23700174  0.82635936  1
  C  C91  1  0.22793633  0.26298685  0.67363813  1
  C  C92  1  0.27205819  0.76300103  0.17363969  1
  C  C93  1  0.77206768  0.73701069  0.32636063  1
  C  C94  1  0.98970800  0.29731396  0.97396115  1
  C  C95  1  0.48970538  0.20267732  0.52603965  1
  C  C96  1  0.01029142  0.70268410  0.02603323  1
  C  C97  1  0.51029036  0.79731288  0.47396764  1
  N  N98  1  0.88202645  0.18203932  0.96315851  1
  N  N99  1  0.38202556  0.31794956  0.53684134  1
  N  N100  1  0.11797366  0.81795994  0.03683804  1
  N  N101  1  0.61797646  0.68203833  0.46316048  1
  N  N102  1  0.17440231  0.14152209  0.01827979  1
  N  N103  1  0.67439244  0.35848087  0.48172237  1
  N  N104  1  0.82559800  0.85847784  0.98172024  1
  N  N105  1  0.32560090  0.64152180  0.51828950  1
  N  N106  1  0.61464547  0.29253647  0.89853415  1
  N  N107  1  0.11464203  0.20744722  0.60146095  1
  N  N108  1  0.38535553  0.70746707  0.10146461  1
  N  N109  1  0.88535705  0.79255177  0.39853965  1
  O  O110  1  0.04488077  0.93221735  0.87020226  1
  O  O111  1  0.54490883  0.56781111  0.62978491  1
  O  O112  1  0.95512556  0.06777460  0.12980078  1
  O  O113  1  0.45511663  0.43224171  0.37020510  1
  O  O114  1  -0.00821366  0.94583062  0.63871135  1
  O  O115  1  0.49177002  0.55414269  0.86126965  1
  O  O116  1  1.00820833  0.05417380  0.36129203  1
  O  O117  1  0.50822792  0.44585492  0.13872770  1
  O  O118  1  0.90129689  0.41352058  0.64025753  1
  O  O119  1  0.40129901  0.08653881  0.85978241  1
  O  O120  1  0.09870638  0.58647193  0.35976016  1
  O  O121  1  0.59870283  0.91352598  0.14022880  1
  O  O122  1  0.04863976  0.66398142  0.68018245  1
  O  O123  1  0.54868898  0.83591682  0.81988457  1
  O  O124  1  0.95135115  0.33602367  0.31981072  1
  O  O125  1  0.45134546  0.16402427  0.18017101  1
  O  O126  1  0.29101754  0.85538832  0.71104552  1
  O  O127  1  0.79106578  0.64457150  0.78892622  1
  O  O128  1  0.70895437  0.14458286  0.28893478  1
  O  O129  1  0.20893534  0.35543857  0.21107792  1
  O  O130  1  0.03233779  0.50497948  0.82586774  1
  O  O131  1  0.53234836  0.99505325  0.67407647  1
  O  O132  1  0.96766685  0.49505832  0.17416025  1
  O  O133  1  0.46766319  0.00495313  0.32585951  1
