# generated using pymatgen
data_FeCo2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34877337
_cell_length_b   9.70538308
_cell_length_c   13.65309777
_cell_angle_alpha   103.50303545
_cell_angle_beta   89.99976960
_cell_angle_gamma   90.00012803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ni2H32C12(NO2)6
_chemical_formula_sum   'Fe2 Co4 Ni4 H64 C24 N12 O24'
_cell_volume   1204.54909492
_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
  Ni  Ni0  1  0.10061324  0.84313166  0.74123569  1
  Ni  Ni1  1  0.60052963  0.65686150  0.75879980  1
  Ni  Ni2  1  0.89937641  0.15693458  0.25878140  1
  Ni  Ni3  1  0.39947115  0.34307454  0.24117389  1
  Co  Co4  1  0.94549214  0.55723564  0.73249902  1
  Co  Co5  1  0.44550954  0.94278174  0.76748720  1
  Co  Co6  1  0.05451958  0.44278477  0.26750517  1
  Co  Co7  1  0.55449874  0.05719034  0.23250483  1
  Fe  Fe8  1  0.00000204  0.99999331  0.99999671  1
  Fe  Fe9  1  0.50000757  0.50001556  0.50000037  1
  H  H10  1  0.18505865  0.20222540  0.09440049  1
  H  H11  1  0.68505448  0.29777423  0.40560637  1
  H  H12  1  0.81496783  0.79771633  0.90560045  1
  H  H13  1  0.31497726  0.70229789  0.59438959  1
  H  H14  1  0.27376169  0.09979499  0.99706596  1
  H  H15  1  0.77378449  0.40019212  0.50293610  1
  H  H16  1  0.72632006  0.90020787  0.00293895  1
  H  H17  1  0.22631322  0.59980647  0.49705366  1
  H  H18  1  0.54415420  0.45721708  0.87194541  1
  H  H19  1  0.04427234  0.04289934  0.62812561  1
  H  H20  1  0.45585922  0.54273471  0.12806250  1
  H  H21  1  0.95571859  0.95711218  0.37185478  1
  H  H22  1  0.53401850  0.21415700  0.88744364  1
  H  H23  1  0.03406687  0.28589215  0.61262837  1
  H  H24  1  0.46596422  0.78585573  0.11257813  1
  H  H25  1  0.96591730  0.71411009  0.38736389  1
  H  H26  1  0.77135013  0.02933436  0.85276911  1
  H  H27  1  0.27141485  0.47071750  0.64727938  1
  H  H28  1  0.22862010  0.97069255  0.14721670  1
  H  H29  1  0.72857185  0.52925724  0.35274319  1
  H  H30  1  0.92148950  0.10231727  0.80556474  1
  H  H31  1  0.42158177  0.39771772  0.69445249  1
  H  H32  1  0.07845565  0.89773778  0.19440875  1
  H  H33  1  0.57837671  0.60221368  0.30557550  1
  H  H34  1  0.21374223  0.32495340  0.96316628  1
  H  H35  1  0.71373577  0.17504271  0.53684916  1
  H  H36  1  0.78630377  0.67497923  0.03683775  1
  H  H37  1  0.28631905  0.82503782  0.46314305  1
  H  H38  1  0.15159081  0.17174430  0.87612349  1
  H  H39  1  0.65164267  0.32827345  0.62388526  1
  H  H40  1  0.84836819  0.82821479  0.12387691  1
  H  H41  1  0.34833707  0.67177960  0.37611166  1
  H  H42  1  0.55702546  0.40616981  0.09653324  1
  H  H43  1  0.05692596  0.09364068  0.40320372  1
  H  H44  1  0.44301096  0.59380925  0.90343813  1
  H  H45  1  0.94307824  0.90635545  0.59677889  1
  H  H46  1  0.72794787  0.43818763  0.00299587  1
  H  H47  1  0.22782624  0.06176261  0.49699650  1
  H  H48  1  0.27206641  0.56180225  0.99701776  1
  H  H49  1  0.77216066  0.93823152  0.50299546  1
  H  H50  1  0.79585516  0.27113213  0.10497077  1
  H  H51  1  0.29580205  0.22887961  0.39506992  1
  H  H52  1  0.20417006  0.72883423  0.89503000  1
  H  H53  1  0.70421525  0.77114693  0.60493898  1
  H  H54  1  0.69177163  0.13284695  0.03172585  1
  H  H55  1  0.19176287  0.36718726  0.46833422  1
  H  H56  1  0.30823220  0.86714681  0.96826946  1
  H  H57  1  0.80824186  0.63282270  0.53167807  1
  H  H58  1  0.79267724  0.32261931  0.80653240  1
  H  H59  1  0.29275305  0.17746171  0.69354674  1
  H  H60  1  0.20726714  0.67742769  0.19348497  1
  H  H61  1  0.70719691  0.82249573  0.30645224  1
  H  H62  1  0.68321378  0.17587619  0.74999659  1
  H  H63  1  0.18329847  0.32420534  0.75010338  1
  H  H64  1  0.31672379  0.82418271  0.25002165  1
  H  H65  1  0.81665130  0.67575196  0.24989736  1
  H  H66  1  0.98176531  0.35987499  0.05226047  1
  H  H67  1  0.48176477  0.14016650  0.44775035  1
  H  H68  1  0.01826333  0.64007935  0.94774782  1
  H  H69  1  0.51827858  0.85990102  0.55223128  1
  H  H70  1  0.96792545  0.36063755  0.91989092  1
  H  H71  1  0.46793444  0.13938017  0.58011448  1
  H  H72  1  0.03213112  0.63934867  0.08012102  1
  H  H73  1  0.53214213  0.86063081  0.41986408  1
  C  C74  1  0.83066811  0.12800619  0.85661880  1
  C  C75  1  0.33072513  0.37204515  0.64342586  1
  C  C76  1  0.16929376  0.87203013  0.14337396  1
  C  C77  1  0.66924684  0.62791779  0.35658770  1
  C  C78  1  0.13911939  0.23505634  0.95339431  1
  C  C79  1  0.63913058  0.26495553  0.54662026  1
  C  C80  1  0.86090232  0.76489563  0.04661588  1
  C  C81  1  0.36089974  0.73510572  0.45336816  1
  C  C82  1  0.67627827  0.33388795  0.99054199  1
  C  C83  1  0.17629185  0.16612781  0.50953886  1
  C  C84  1  0.32370994  0.66612285  0.00949017  1
  C  C85  1  0.82370358  0.83387350  0.49045567  1
  C  C86  1  0.75665776  0.22615363  0.02879860  1
  C  C87  1  0.25665272  0.27387622  0.47124822  1
  C  C88  1  0.24334192  0.77384303  0.97120581  1
  C  C89  1  0.74335077  0.72613175  0.52875911  1
  C  C90  1  0.73208111  0.23214605  0.82088816  1
  C  C91  1  0.23214527  0.26793190  0.67919174  1
  C  C92  1  0.26786193  0.76790291  0.17913050  1
  C  C93  1  0.76781173  0.73203154  0.32080891  1
  C  C94  1  0.98889139  0.29403549  0.97390673  1
  C  C95  1  0.48889542  0.20599829  0.52611026  1
  C  C96  1  0.01113678  0.70593627  0.02610000  1
  C  C97  1  0.51114313  0.79403920  0.47387876  1
  N  N98  1  0.88219713  0.17730432  0.96199670  1
  N  N99  1  0.38221019  0.32273750  0.53803490  1
  N  N100  1  0.11778899  0.82270108  0.03799215  1
  N  N101  1  0.61778309  0.67726448  0.46198124  1
  N  N102  1  0.17587159  0.14270037  0.02075424  1
  N  N103  1  0.67588961  0.35730191  0.47925550  1
  N  N104  1  0.82418207  0.85724308  0.97924386  1
  N  N105  1  0.32417464  0.64276884  0.52074409  1
  N  N106  1  0.61832474  0.28790558  0.89452942  1
  N  N107  1  0.11835321  0.21213067  0.60554931  1
  N  N108  1  0.38164389  0.71212655  0.10550439  1
  N  N109  1  0.88161829  0.78785472  0.39443710  1
  O  O110  1  0.04665525  0.94627099  0.86889285  1
  O  O111  1  0.54663694  0.55377318  0.63111506  1
  O  O112  1  0.95325339  0.05382226  0.13107217  1
  O  O113  1  0.45325319  0.44612829  0.36892132  1
  O  O114  1  0.00115665  0.96325649  0.65277827  1
  O  O115  1  0.50112050  0.53696165  0.84738225  1
  O  O116  1  0.99885110  0.03674190  0.34719905  1
  O  O117  1  0.49891800  0.46298210  0.15260183  1
  O  O118  1  0.90141136  0.40956054  0.64916317  1
  O  O119  1  0.40134954  0.09041462  0.85083142  1
  O  O120  1  0.09861530  0.59046008  0.35083244  1
  O  O121  1  0.59867698  0.90955875  0.14916776  1
  O  O122  1  0.05054555  0.65587331  0.67178219  1
  O  O123  1  0.55060708  0.84418484  0.82820130  1
  O  O124  1  0.94945176  0.34418898  0.32824702  1
  O  O125  1  0.44938422  0.15574708  0.17177057  1
  O  O126  1  0.30102043  0.84101442  0.71682027  1
  O  O127  1  0.80097663  0.65895523  0.78315862  1
  O  O128  1  0.69895489  0.15898755  0.28319826  1
  O  O129  1  0.19901052  0.34105142  0.21681960  1
  O  O130  1  0.03377624  0.52017713  0.82907044  1
  O  O131  1  0.53378543  0.97987333  0.67092462  1
  O  O132  1  0.96620918  0.47985742  0.17095149  1
  O  O133  1  0.46618848  0.02007036  0.32904198  1
