# generated using pymatgen
data_Fe3Co2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35896717
_cell_length_b   9.71737612
_cell_length_c   13.66029008
_cell_angle_alpha   103.49948237
_cell_angle_beta   90.00002396
_cell_angle_gamma   90.00015877
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Co2H32C12(NO2)6
_chemical_formula_sum   'Fe6 Co4 H64 C24 N12 O24'
_cell_volume   1208.00662535
_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  0.09604723  0.85365911  0.73091005  1
  Fe  Fe1  1  0.59599328  0.64630191  0.76912321  1
  Fe  Fe2  1  0.90394433  0.14642214  0.26913523  1
  Fe  Fe3  1  0.40391891  0.35360223  0.23086683  1
  Co  Co4  1  0.94619687  0.55136971  0.73217263  1
  Co  Co5  1  0.44622674  0.94861924  0.76782687  1
  Co  Co6  1  0.05375921  0.44866913  0.26784936  1
  Co  Co7  1  0.55376953  0.05135946  0.23215485  1
  Fe  Fe8  1  0.00010916  0.99980414  1.00005030  1
  Fe  Fe9  1  0.50013167  0.50018151  0.49995374  1
  H  H10  1  0.18631479  0.20094636  0.09143906  1
  H  H11  1  0.68632478  0.29905068  0.40855511  1
  H  H12  1  0.81370105  0.79897346  0.90857540  1
  H  H13  1  0.31372108  0.70102096  0.59142375  1
  H  H14  1  0.27483843  0.10125894  0.99293006  1
  H  H15  1  0.77483609  0.39874457  0.50706310  1
  H  H16  1  0.72529724  0.89879845  0.00709974  1
  H  H17  1  0.22530336  0.60119567  0.49289807  1
  H  H18  1  0.53039707  0.46503413  0.87642203  1
  H  H19  1  0.03033789  0.03490116  0.62348702  1
  H  H20  1  0.46958510  0.53499253  0.12372366  1
  H  H21  1  0.96958089  0.96503647  0.37629288  1
  H  H22  1  0.53364209  0.21866869  0.89346073  1
  H  H23  1  0.03364699  0.28130368  0.60652919  1
  H  H24  1  0.46635163  0.78132587  0.10653041  1
  H  H25  1  0.96637325  0.71870366  0.39347467  1
  H  H26  1  0.77323797  0.03278915  0.85283247  1
  H  H27  1  0.27324935  0.46718815  0.64715795  1
  H  H28  1  0.22675801  0.96720196  0.14712345  1
  H  H29  1  0.72679169  0.53279638  0.35286969  1
  H  H30  1  0.91985828  0.11194761  0.80690599  1
  H  H31  1  0.41985139  0.38803073  0.69309847  1
  H  H32  1  0.08014059  0.88805806  0.19307973  1
  H  H33  1  0.58016056  0.61192588  0.30691407  1
  H  H34  1  0.21355337  0.32909543  0.96546552  1
  H  H35  1  0.71357141  0.17090746  0.53453115  1
  H  H36  1  0.78644225  0.67079971  0.03454375  1
  H  H37  1  0.28646108  0.82919202  0.46545417  1
  H  H38  1  0.15240571  0.17987167  0.87504871  1
  H  H39  1  0.65240545  0.32012263  0.62494940  1
  H  H40  1  0.84760587  0.81999821  0.12498075  1
  H  H41  1  0.34761236  0.67998638  0.37501855  1
  H  H42  1  0.57974550  0.38539181  0.06309816  1
  H  H43  1  0.07978518  0.11465677  0.43694207  1
  H  H44  1  0.42039369  0.61447959  0.93684788  1
  H  H45  1  0.92074377  0.88588617  0.56352255  1
  H  H46  1  0.74022112  0.43377528  0.00045357  1
  H  H47  1  0.24024354  0.06620796  0.49954860  1
  H  H48  1  0.25980360  0.56618289  0.99953701  1
  H  H49  1  0.75989478  0.93391068  0.50052554  1
  H  H50  1  0.79706993  0.26660541  0.10750286  1
  H  H51  1  0.29706774  0.23338033  0.39249709  1
  H  H52  1  0.20298048  0.73326584  0.89248148  1
  H  H53  1  0.70299636  0.76672051  0.60752082  1
  H  H54  1  0.69125830  0.13393620  0.03036550  1
  H  H55  1  0.19125602  0.36604228  0.46964204  1
  H  H56  1  0.30872289  0.86602903  0.96959828  1
  H  H57  1  0.80875033  0.63395972  0.53040796  1
  H  H58  1  0.78945055  0.32920842  0.81314958  1
  H  H59  1  0.28944709  0.17077972  0.68685595  1
  H  H60  1  0.21053488  0.67082490  0.18686966  1
  H  H61  1  0.71053908  0.82917554  0.31313045  1
  H  H62  1  0.68150105  0.18235785  0.75421412  1
  H  H63  1  0.18150158  0.31763917  0.74578315  1
  H  H64  1  0.31849857  0.81768433  0.24579847  1
  H  H65  1  0.81852345  0.68232780  0.25418792  1
  H  H66  1  0.98264713  0.36188463  0.05285629  1
  H  H67  1  0.48265833  0.13810767  0.44712678  1
  H  H68  1  0.01739646  0.63796846  0.94712875  1
  H  H69  1  0.51741505  0.86201021  0.55286573  1
  H  H70  1  0.96873051  0.36444234  0.92084742  1
  H  H71  1  0.46875023  0.13554201  0.57914972  1
  H  H72  1  0.03133575  0.63551809  0.07916309  1
  H  H73  1  0.53135346  0.86446932  0.42083548  1
  C  C74  1  0.82923737  0.13329196  0.85855060  1
  C  C75  1  0.32924076  0.36668412  0.64144880  1
  C  C76  1  0.17076173  0.86668857  0.14145214  1
  C  C77  1  0.67077622  0.63330200  0.35854132  1
  C  C78  1  0.13941335  0.23901937  0.95333448  1
  C  C79  1  0.63941557  0.26096933  0.54665902  1
  C  C80  1  0.86060748  0.76085176  0.04666503  1
  C  C81  1  0.36061870  0.73913380  0.45333136  1
  C  C82  1  0.67222616  0.34089818  0.99832077  1
  C  C83  1  0.17222599  0.15907374  0.50167326  1
  C  C84  1  0.32776880  0.65908900  0.00170417  1
  C  C85  1  0.82768281  0.84084403  0.49820392  1
  C  C86  1  0.75815945  0.22681105  0.03082642  1
  C  C87  1  0.25815742  0.27316852  0.46917754  1
  C  C88  1  0.24186490  0.77314800  0.96916869  1
  C  C89  1  0.74184757  0.72681048  0.53082809  1
  C  C90  1  0.72819381  0.23853524  0.82602020  1
  C  C91  1  0.22818715  0.26144191  0.67397772  1
  C  C92  1  0.27177932  0.76149506  0.17400049  1
  C  C93  1  0.77176386  0.73848410  0.32596842  1
  C  C94  1  0.98909374  0.29735222  0.97456831  1
  C  C95  1  0.48910549  0.20263232  0.52543203  1
  C  C96  1  0.01090954  0.70251698  0.02541993  1
  C  C97  1  0.51092414  0.79746338  0.47457651  1
  N  N98  1  0.88168550  0.18156873  0.96309502  1
  N  N99  1  0.38168760  0.31840167  0.53690144  1
  N  N100  1  0.11831031  0.81835229  0.03688502  1
  N  N101  1  0.61831059  0.68161244  0.46310500  1
  N  N102  1  0.17686714  0.14321166  0.01777579  1
  N  N103  1  0.67687124  0.35678533  0.48222105  1
  N  N104  1  0.82320226  0.85668050  0.98224225  1
  N  N105  1  0.32321162  0.64331197  0.51775921  1
  N  N106  1  0.61494419  0.29341545  0.89850693  1
  N  N107  1  0.11491930  0.20652319  0.60150069  1
  N  N108  1  0.38500721  0.70662641  0.10151175  1
  N  N109  1  0.88495479  0.79329880  0.39847010  1
  O  O110  1  0.04665815  0.92923553  0.86479710  1
  O  O111  1  0.54659318  0.57087574  0.63518134  1
  O  O112  1  0.95280013  0.07167222  0.13496953  1
  O  O113  1  0.45265996  0.42840457  0.36504868  1
  O  O114  1  -0.00409482  0.94193696  0.63269863  1
  O  O115  1  0.49603574  0.55798914  0.86713519  1
  O  O116  1  1.00396103  0.05793118  0.36695367  1
  O  O117  1  0.50399101  0.44208633  0.13305814  1
  O  O118  1  0.90293295  0.41143946  0.64095343  1
  O  O119  1  0.40294264  0.08855935  0.85903709  1
  O  O120  1  0.09712580  0.58860962  0.35908013  1
  O  O121  1  0.59713478  0.91142235  0.14091980  1
  O  O122  1  0.04890698  0.66292167  0.67713970  1
  O  O123  1  0.54892241  0.83710216  0.82285267  1
  O  O124  1  0.95105026  0.33718699  0.32291423  1
  O  O125  1  0.45105693  0.16285191  0.17710106  1
  O  O126  1  0.29426822  0.85743255  0.70994844  1
  O  O127  1  0.79427511  0.64258518  0.79002058  1
  O  O128  1  0.70565420  0.14261051  0.29006651  1
  O  O129  1  0.20563381  0.35741692  0.20991744  1
  O  O130  1  0.03847894  0.50539133  0.82376902  1
  O  O131  1  0.53851012  0.99459787  0.67622880  1
  O  O132  1  0.96143788  0.49479905  0.17632811  1
  O  O133  1  0.46145564  0.00522980  0.32368088  1
