# generated using pymatgen
data_FeCo2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34673210
_cell_length_b   9.69526572
_cell_length_c   13.62614205
_cell_angle_alpha   103.47348654
_cell_angle_beta   90.00001179
_cell_angle_gamma   90.00013097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ni2H32C12(NO2)6
_chemical_formula_sum   'Fe2 Co4 Ni4 H64 C24 N12 O24'
_cell_volume   1200.80403368
_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
  Co  Co0  1  0.09043140  0.86420799  0.73461017  1
  Co  Co1  1  0.59042462  0.63579679  0.76539229  1
  Co  Co2  1  0.90947985  0.13574762  0.26520343  1
  Co  Co3  1  0.40946114  0.36427294  0.23480478  1
  Ni  Ni4  1  0.92985971  0.55929667  0.73239969  1
  Ni  Ni5  1  0.42985797  0.94070231  0.76760323  1
  Ni  Ni6  1  0.07010997  0.44065749  0.26761148  1
  Ni  Ni7  1  0.57011585  0.05935893  0.23238747  1
  Fe  Fe8  1  0.00032868  0.99956383  1.00011856  1
  Fe  Fe9  1  0.50033705  0.50042332  0.49988196  1
  H  H10  1  0.19314232  0.19915074  0.08789167  1
  H  H11  1  0.69314247  0.30084868  0.41210553  1
  H  H12  1  0.80689057  0.80080101  0.91216141  1
  H  H13  1  0.30689080  0.69920177  0.58784023  1
  H  H14  1  0.27659852  0.09558165  0.98684932  1
  H  H15  1  0.77659717  0.40442153  0.51314628  1
  H  H16  1  0.72358491  0.90448200  0.01325059  1
  H  H17  1  0.22358719  0.59551832  0.48675344  1
  H  H18  1  0.58288491  0.38669394  0.86791497  1
  H  H19  1  0.08288442  0.11330033  0.63208448  1
  H  H20  1  0.41706265  0.61334591  0.13205677  1
  H  H21  1  0.91706028  0.88666332  0.36794527  1
  H  H22  1  0.47299434  0.15850852  0.88546114  1
  H  H23  1  -0.02701545  0.34148567  0.61453945  1
  H  H24  1  0.52704165  0.84154745  0.11454498  1
  H  H25  1  1.02704157  0.65846912  0.38544481  1
  H  H26  1  0.75340247  0.03035437  0.85255958  1
  H  H27  1  0.25340833  0.46963754  0.64744036  1
  H  H28  1  0.24659205  0.96969042  0.14753482  1
  H  H29  1  0.74660382  0.53031272  0.35246282  1
  H  H30  1  0.90674200  0.08302510  0.79343564  1
  H  H31  1  0.40674562  0.41696674  0.70656627  1
  H  H32  1  0.09322358  0.91701319  0.20667623  1
  H  H33  1  0.59323099  0.58298028  0.29331808  1
  H  H34  1  0.20632740  0.32779899  0.96628111  1
  H  H35  1  0.70633651  0.17219894  0.53371428  1
  H  H36  1  0.79366221  0.67198603  0.03370649  1
  H  H37  1  0.29366902  0.82800939  0.46629146  1
  H  H38  1  0.17387733  0.17474463  0.87072431  1
  H  H39  1  0.67388862  0.32525213  0.62927265  1
  H  H40  1  0.82609733  0.82499398  0.12930865  1
  H  H41  1  0.32610183  0.67499908  0.37069255  1
  H  H42  1  0.58256265  0.36786453  0.04552788  1
  H  H43  1  0.08256898  0.13212816  0.45446529  1
  H  H44  1  0.41729802  0.63213036  0.95437928  1
  H  H45  1  0.91729880  0.86787412  0.54562022  1
  H  H46  1  0.73940533  0.44424206  0.01156275  1
  H  H47  1  0.23940710  0.05575271  0.48843812  1
  H  H48  1  0.26047123  0.55581252  0.98843216  1
  H  H49  1  0.76046790  0.94418420  0.51156736  1
  H  H50  1  0.80179715  0.26308334  0.10173559  1
  H  H51  1  0.30180251  0.23691099  0.39826590  1
  H  H52  1  0.19810829  0.73703358  0.89826045  1
  H  H53  1  0.69811401  0.76295929  0.60173685  1
  H  H54  1  0.69369024  0.13412070  0.02342525  1
  H  H55  1  0.19369771  0.36587371  0.47657620  1
  H  H56  1  0.30635657  0.86589972  0.97654699  1
  H  H57  1  0.80636548  0.63409882  0.52344930  1
  H  H58  1  0.80923676  0.31593062  0.79673997  1
  H  H59  1  0.30923872  0.18405904  0.70325761  1
  H  H60  1  0.19074897  0.68407018  0.20327124  1
  H  H61  1  0.69074683  0.81593418  0.29673055  1
  H  H62  1  0.67845746  0.18451533  0.74883165  1
  H  H63  1  0.17846106  0.31547414  0.75116746  1
  H  H64  1  0.32155255  0.81547131  0.25114769  1
  H  H65  1  0.82155237  0.68453574  0.24885012  1
  H  H66  1  0.97524885  0.42911767  0.10886380  1
  H  H67  1  0.47525870  0.07087586  0.39113385  1
  H  H68  1  0.02470297  0.57091245  0.89116898  1
  H  H69  1  0.52470503  0.92907374  0.60883367  1
  H  H70  1  0.96778885  0.37080204  0.92520790  1
  H  H71  1  0.46779691  0.12919092  0.57479423  1
  H  H72  1  0.03253507  0.62923979  0.07481237  1
  H  H73  1  0.53253610  0.87075368  0.42518550  1
  C  C74  1  0.82167408  0.12119141  0.84971044  1
  C  C75  1  0.32167857  0.37880003  0.65029007  1
  C  C76  1  0.17829650  0.87887158  0.15037331  1
  C  C77  1  0.67830334  0.62112794  0.34962436  1
  C  C78  1  0.14158927  0.23020973  0.94777763  1
  C  C79  1  0.64159628  0.26978603  0.55222057  1
  C  C80  1  0.85838632  0.76958157  0.05225284  1
  C  C81  1  0.35839167  0.73041322  0.44774802  1
  C  C82  1  0.67645413  0.34451959  0.99515708  1
  C  C83  1  0.17645494  0.15547450  0.50484318  1
  C  C84  1  0.32345719  0.65551585  0.00482041  1
  C  C85  1  0.82345855  0.84448442  0.49517872  1
  C  C86  1  0.76118266  0.22671303  0.02491589  1
  C  C87  1  0.26118788  0.27328010  0.47508547  1
  C  C88  1  0.23880120  0.77335564  0.97507234  1
  C  C89  1  0.73880687  0.72664029  0.52492478  1
  C  C90  1  0.73654395  0.23693790  0.81739044  1
  C  C91  1  0.23654714  0.26305315  0.68260823  1
  C  C92  1  0.26341829  0.76306756  0.18260521  1
  C  C93  1  0.76341918  0.73693696  0.31739389  1
  C  C94  1  0.99090447  0.27375234  0.95323836  1
  C  C95  1  0.49091187  0.22624137  0.54676383  1
  C  C96  1  0.00910005  0.72617252  0.04680265  1
  C  C97  1  0.50910564  0.77382042  0.45319630  1
  N  N98  1  0.88176156  0.17559195  0.95351671  1
  N  N99  1  0.38176796  0.32440037  0.54648469  1
  N  N100  1  0.11821995  0.82454536  0.04651444  1
  N  N101  1  0.61822563  0.67544813  0.45348235  1
  N  N102  1  0.17826766  0.13719569  0.01524092  1
  N  N103  1  0.67826685  0.36280222  0.48475711  1
  N  N104  1  0.82182000  0.86266073  0.98483106  1
  N  N105  1  0.32182073  0.63733767  0.51517226  1
  N  N106  1  0.63090022  0.30276543  0.89126201  1
  N  N107  1  0.13090069  0.19722871  0.60873761  1
  N  N108  1  0.36904158  0.69725990  0.10871074  1
  N  N109  1  0.86904368  0.80274516  0.39128826  1
  O  O110  1  0.06097563  0.91282313  0.86910255  1
  O  O111  1  0.56094347  0.58719683  0.63090147  1
  O  O112  1  0.93873471  0.08764772  0.13069119  1
  O  O113  1  0.43868079  0.41237146  0.36931930  1
  O  O114  1  0.00323993  0.98513216  0.68095521  1
  O  O115  1  0.50323901  0.51486849  0.81904693  1
  O  O116  1  0.99673748  0.01440435  0.31845517  1
  O  O117  1  0.49672950  0.48563310  0.18157394  1
  O  O118  1  0.89036045  0.40681328  0.62385984  1
  O  O119  1  0.39036381  0.09318789  0.87613949  1
  O  O120  1  0.10968345  0.59316278  0.37610080  1
  O  O121  1  0.60967516  0.90686353  0.12388558  1
  O  O122  1  0.03387071  0.68950484  0.68117417  1
  O  O123  1  0.53386674  0.81049887  0.81883611  1
  O  O124  1  0.96627244  0.31033354  0.31883923  1
  O  O125  1  0.46627444  0.18969613  0.18117091  1
  O  O126  1  0.27426532  0.84708881  0.69985715  1
  O  O127  1  0.77426201  0.65291327  0.80013779  1
  O  O128  1  0.72572164  0.15297310  0.30015267  1
  O  O129  1  0.22571138  0.34704267  0.19983778  1
  O  O130  1  0.02678648  0.48813928  0.83394860  1
  O  O131  1  0.52679455  1.01185031  0.66605137  1
  O  O132  1  0.97319775  0.51186764  0.16609916  1
  O  O133  1  0.47321800  -0.01187025  0.33389600  1
