# generated using pymatgen
data_Fe4NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35495306
_cell_length_b   9.71142710
_cell_length_c   13.61780341
_cell_angle_alpha   103.64065209
_cell_angle_beta   90.00000419
_cell_angle_gamma   90.00003932
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4NiH32C12(NO2)6
_chemical_formula_sum   'Fe8 Ni2 H64 C24 N12 O24'
_cell_volume   1202.28078082
_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  0.08703925  0.84764171  0.73357328  1
  Fe  Fe1  1  0.58702141  0.65236271  0.76644260  1
  Fe  Fe2  1  0.91290543  0.15254463  0.26647563  1
  Fe  Fe3  1  0.41286933  0.34745285  0.23354579  1
  Fe  Fe4  1  0.92724711  0.53039489  0.72719107  1
  Fe  Fe5  1  0.42725716  0.96961637  0.77280622  1
  Fe  Fe6  1  0.07274201  0.46978794  0.27290099  1
  Fe  Fe7  1  0.57276195  0.03022524  0.22712262  1
  Ni  Ni8  1  -0.00070100  1.00065786  0.99988865  1
  Ni  Ni9  1  0.49928050  0.49932927  0.50008847  1
  H  H10  1  0.18733168  0.19761426  0.09021115  1
  H  H11  1  0.68732158  0.30240995  0.40977311  1
  H  H12  1  0.81251279  0.80237874  0.90972570  1
  H  H13  1  0.31253796  0.69761781  0.59025840  1
  H  H14  1  0.27298446  0.09518200  0.99209948  1
  H  H15  1  0.77301065  0.40479585  0.50786206  1
  H  H16  1  0.72636132  0.90419209  0.00790789  1
  H  H17  1  0.22643658  0.59575451  0.49206854  1
  H  H18  1  0.53192702  0.46306726  0.87427886  1
  H  H19  1  0.03191825  0.03692293  0.62573272  1
  H  H20  1  0.46807071  0.53702316  0.12579989  1
  H  H21  1  0.96807683  0.96299850  0.37421632  1
  H  H22  1  0.51612158  0.22563493  0.89937340  1
  H  H23  1  0.01611785  0.27433934  0.60061185  1
  H  H24  1  0.48417530  0.77432184  0.10065396  1
  H  H25  1  0.98416100  0.72568629  0.39936091  1
  H  H26  1  0.74390530  0.02973940  0.86325201  1
  H  H27  1  0.24390062  0.47024135  0.63676769  1
  H  H28  1  0.25611818  0.97022185  0.13666594  1
  H  H29  1  0.75615005  0.52976534  0.36331104  1
  H  H30  1  0.89061227  0.08481893  0.80047769  1
  H  H31  1  0.39060127  0.41514536  0.69953914  1
  H  H32  1  0.10938099  0.91516700  0.19948385  1
  H  H33  1  0.60938931  0.58480421  0.30051421  1
  H  H34  1  0.20728805  0.31881244  0.96158255  1
  H  H35  1  0.70729471  0.18122060  0.53839708  1
  H  H36  1  0.79278687  0.68128572  0.03841839  1
  H  H37  1  0.29281082  0.81873581  0.46160836  1
  H  H38  1  0.16321478  0.16254451  0.87141668  1
  H  H39  1  0.66327435  0.33748513  0.62856401  1
  H  H40  1  0.83684518  0.83756350  0.12847216  1
  H  H41  1  0.33682849  0.66248018  0.37151724  1
  H  H42  1  0.57726606  0.39609981  0.07391303  1
  H  H43  1  0.07733586  0.10392127  0.42618223  1
  H  H44  1  0.42252672  0.60406772  0.92644772  1
  H  H45  1  0.92253429  0.89594385  0.57357662  1
  H  H46  1  0.73637825  0.44075235  -0.00172605  1
  H  H47  1  0.23628628  0.05919302  0.50167387  1
  H  H48  1  0.26398273  0.55913338  1.00168901  1
  H  H49  1  0.76394636  0.94084228  0.49830332  1
  H  H50  1  0.80957191  0.28289206  0.10591787  1
  H  H51  1  0.30957144  0.21709091  0.39409411  1
  H  H52  1  0.19057494  0.71704264  0.89421744  1
  H  H53  1  0.69056562  0.78293025  0.60578068  1
  H  H54  1  0.69888199  0.14499532  0.04007574  1
  H  H55  1  0.19887046  0.35497776  0.45993227  1
  H  H56  1  0.30122592  0.85496590  0.96007831  1
  H  H57  1  0.80124241  0.64502748  0.53993115  1
  H  H58  1  0.77940778  0.31893276  0.81033502  1
  H  H59  1  0.27936547  0.18103564  0.68966634  1
  H  H60  1  0.22064114  0.68116248  0.18978091  1
  H  H61  1  0.72062714  0.81882295  0.31021491  1
  H  H62  1  0.66039677  0.18007866  0.75499715  1
  H  H63  1  0.16037428  0.31990519  0.74500638  1
  H  H64  1  0.33967921  0.82013835  0.24509953  1
  H  H65  1  0.83968303  0.67987083  0.25489438  1
  H  H66  1  0.98491060  0.43603831  0.10294229  1
  H  H67  1  0.48491403  0.06396809  0.39708486  1
  H  H68  1  0.01524758  0.56416440  0.89707913  1
  H  H69  1  0.51524890  0.93582828  0.60293357  1
  H  H70  1  0.97184117  0.36439108  0.91707484  1
  H  H71  1  0.47190203  0.13558834  0.58290567  1
  H  H72  1  0.02749494  0.63562816  0.08292826  1
  H  H73  1  0.52756137  0.86434480  0.41702918  1
  C  C74  1  0.80807940  0.12190264  0.85708617  1
  C  C75  1  0.30807525  0.37807333  0.64292261  1
  C  C76  1  0.19195209  0.87810067  0.14290318  1
  C  C77  1  0.69196443  0.62188256  0.35709215  1
  C  C78  1  0.13784631  0.22487872  0.94823243  1
  C  C79  1  0.63785293  0.27515087  0.55175761  1
  C  C80  1  0.86210853  0.77528299  0.05166089  1
  C  C81  1  0.36213288  0.72473862  0.44833057  1
  C  C82  1  0.67309597  0.34531213  0.99814998  1
  C  C83  1  0.17307683  0.15468348  0.50182663  1
  C  C84  1  0.32722209  0.65465476  0.00193109  1
  C  C85  1  0.82720117  0.84533284  0.49806460  1
  C  C86  1  0.76270708  0.23633752  0.03221313  1
  C  C87  1  0.26268773  0.26363946  0.46779424  1
  C  C88  1  0.23754538  0.76353053  0.96789996  1
  C  C89  1  0.73754667  0.73645366  0.53210133  1
  C  C90  1  0.71371422  0.23223971  0.82568513  1
  C  C91  1  0.21368946  0.26774509  0.67431788  1
  C  C92  1  0.28637599  0.76787620  0.17441550  1
  C  C93  1  0.78637158  0.73211711  0.32558086  1
  C  C94  1  0.98841989  0.27186836  0.95191257  1
  C  C95  1  0.48843818  0.22812880  0.54807922  1
  C  C96  1  0.01159331  0.72811388  0.04804196  1
  C  C97  1  0.51162789  0.77186418  0.45191975  1
  N  N98  1  0.87671315  0.18052667  0.95731946  1
  N  N99  1  0.37670951  0.31945996  0.54269001  1
  N  N100  1  0.12348922  0.81918869  0.04274598  1
  N  N101  1  0.62350282  0.68079029  0.45725018  1
  N  N102  1  0.17390600  0.13567051  0.01751117  1
  N  N103  1  0.67390535  0.36435263  0.48247275  1
  N  N104  1  0.82569886  0.86441345  0.98243250  1
  N  N105  1  0.32575382  0.63557622  0.51755511  1
  N  N106  1  0.60766249  0.29510327  0.90242419  1
  N  N107  1  0.10761473  0.20488992  0.59760640  1
  N  N108  1  0.39258382  0.70495167  0.09773107  1
  N  N109  1  0.89256434  0.79503370  0.40227701  1
  O  O110  1  0.04080113  0.94510804  0.86576261  1
  O  O111  1  0.54084160  0.55501748  0.63421840  1
  O  O112  1  0.95908728  0.05523403  0.13420984  1
  O  O113  1  0.45909556  0.44488809  0.36576786  1
  O  O114  1  -0.01422302  0.95128187  0.64030619  1
  O  O115  1  0.48577871  0.54869330  0.85969306  1
  O  O116  1  1.01410840  0.04872904  0.35970342  1
  O  O117  1  0.51409025  0.45128971  0.14031932  1
  O  O118  1  0.89164338  0.38091181  0.62539673  1
  O  O119  1  0.39168799  0.11911509  0.87459888  1
  O  O120  1  0.10838333  0.61918055  0.37468525  1
  O  O121  1  0.60834757  0.88083708  0.12533345  1
  O  O122  1  0.04797860  0.65770588  0.68552619  1
  O  O123  1  0.54796202  0.84230914  0.81450122  1
  O  O124  1  0.95237018  0.34228648  0.31466847  1
  O  O125  1  0.45231758  0.15772255  0.18538567  1
  O  O126  1  0.27745298  0.86186135  0.70157802  1
  O  O127  1  0.77744275  0.63813910  0.79840470  1
  O  O128  1  0.72265602  0.13816023  0.29820035  1
  O  O129  1  0.22264824  0.36189924  0.20176697  1
  O  O130  1  0.01947485  0.47686474  0.84334650  1
  O  O131  1  0.51951974  1.02314113  0.65665410  1
  O  O132  1  0.98055715  0.52323135  0.15657547  1
  O  O133  1  0.48059588  -0.02322246  0.34344397  1
