# generated using pymatgen
data_Fe2Co2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35693498
_cell_length_b   9.71525493
_cell_length_c   13.65450379
_cell_angle_alpha   103.52247382
_cell_angle_beta   90.00003187
_cell_angle_gamma   90.00013724
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Co2NiH32C12(NO2)6
_chemical_formula_sum   'Fe4 Co4 Ni2 H64 C24 N12 O24'
_cell_volume   1206.85284545
_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  0.09322072  0.85617672  0.73381319  1
  Fe  Fe1  1  0.59323011  0.64377657  0.76619003  1
  Fe  Fe2  1  0.90674429  0.14387063  0.26616116  1
  Fe  Fe3  1  0.40671790  0.35611555  0.23385017  1
  Co  Co4  1  0.94406359  0.54908402  0.73281723  1
  Co  Co5  1  0.44414905  0.95082609  0.76721302  1
  Co  Co6  1  0.05582293  0.45080081  0.26725070  1
  Co  Co7  1  0.55582943  0.04921950  0.23275633  1
  Ni  Ni8  1  0.00004185  0.99998161  1.00000978  1
  Ni  Ni9  1  0.50005528  0.50003348  0.49999065  1
  H  H10  1  0.18489077  0.20042886  0.09299243  1
  H  H11  1  0.68490032  0.29957882  0.40701262  1
  H  H12  1  0.81503470  0.79947464  0.90701827  1
  H  H13  1  0.31505202  0.70052725  0.59298417  1
  H  H14  1  0.27385759  0.10005970  0.99532001  1
  H  H15  1  0.77386161  0.39994560  0.50469762  1
  H  H16  1  0.72637943  0.89995231  0.00480352  1
  H  H17  1  0.22638651  0.60005395  0.49521254  1
  H  H18  1  0.53664443  0.46619432  0.87660670  1
  H  H19  1  0.03666537  0.03379880  0.62337732  1
  H  H20  1  0.46347552  0.53384080  0.12351849  1
  H  H21  1  0.96344139  0.96614827  0.37644717  1
  H  H22  1  0.53287498  0.22114866  0.89501101  1
  H  H23  1  0.03287635  0.27883693  0.60498004  1
  H  H24  1  0.46710778  0.77882829  0.10497771  1
  H  H25  1  0.96712628  0.72117832  0.39502052  1
  H  H26  1  0.77251480  0.03328154  0.85523938  1
  H  H27  1  0.27250500  0.46670400  0.64476342  1
  H  H28  1  0.22749929  0.96675230  0.14468107  1
  H  H29  1  0.72752260  0.53325340  0.35530810  1
  H  H30  1  0.91866175  0.10959028  0.80785430  1
  H  H31  1  0.41863828  0.39038862  0.69214952  1
  H  H32  1  0.08135279  0.89047745  0.19217341  1
  H  H33  1  0.58136751  0.60951198  0.30781212  1
  H  H34  1  0.21391576  0.32582798  0.96394483  1
  H  H35  1  0.71390900  0.17416024  0.53604294  1
  H  H36  1  0.78616417  0.67391277  0.03598526  1
  H  H37  1  0.28616813  0.82607494  0.46400638  1
  H  H38  1  0.15006775  0.17411025  0.87623425  1
  H  H39  1  0.65007835  0.32586823  0.62376668  1
  H  H40  1  0.84990218  0.82554317  0.12378912  1
  H  H41  1  0.34991155  0.67444001  0.37621451  1
  H  H42  1  0.57990181  0.38245653  0.06386917  1
  H  H43  1  0.07996057  0.11764730  0.43618492  1
  H  H44  1  0.42022579  0.61748183  0.93615108  1
  H  H45  1  0.92023935  0.88255256  0.56388914  1
  H  H46  1  0.73956137  0.43474448  0.00305319  1
  H  H47  1  0.23955517  0.06524654  0.49694538  1
  H  H48  1  0.26043982  0.56518453  0.99698145  1
  H  H49  1  0.76044796  0.93482532  0.50302745  1
  H  H50  1  0.79902538  0.26769839  0.10835288  1
  H  H51  1  0.29902856  0.23229120  0.39164907  1
  H  H52  1  0.20101411  0.73203876  0.89161571  1
  H  H53  1  0.70099953  0.76792319  0.60838260  1
  H  H54  1  0.69271674  0.13488945  0.03214319  1
  H  H55  1  0.19271116  0.36510375  0.46785806  1
  H  H56  1  0.30733285  0.86502934  0.96779781  1
  H  H57  1  0.80733694  0.63495569  0.53220115  1
  H  H58  1  0.78801684  0.32826560  0.81258356  1
  H  H59  1  0.28800841  0.17171334  0.68740924  1
  H  H60  1  0.21190175  0.67181599  0.18742274  1
  H  H61  1  0.71190683  0.82819032  0.31257609  1
  H  H62  1  0.67830748  0.18151748  0.75600345  1
  H  H63  1  0.17830409  0.31846652  0.74398827  1
  H  H64  1  0.32157603  0.81860101  0.24397895  1
  H  H65  1  0.82159015  0.68141692  0.25603197  1
  H  H66  1  0.98374106  0.36232264  0.05253916  1
  H  H67  1  0.48373787  0.13768462  0.44747027  1
  H  H68  1  0.01635657  0.63758340  0.94749200  1
  H  H69  1  0.51636482  0.86241075  0.55251428  1
  H  H70  1  0.97115134  0.36364416  0.92024525  1
  H  H71  1  0.47114885  0.13635142  0.57976397  1
  H  H72  1  0.02903701  0.63632511  0.07982353  1
  H  H73  1  0.52904091  0.86367456  0.42017699  1
  C  C74  1  0.82876312  0.13331117  0.85982162  1
  C  C75  1  0.32874564  0.36667082  0.64017452  1
  C  C76  1  0.17123845  0.86677353  0.14013419  1
  C  C77  1  0.67125008  0.63322590  0.35986027  1
  C  C78  1  0.13913497  0.23630614  0.95392904  1
  C  C79  1  0.63913868  0.26368186  0.54606621  1
  C  C80  1  0.86091699  0.76346265  0.04606186  1
  C  C81  1  0.36092912  0.73652733  0.45393153  1
  C  C82  1  0.67187559  0.34153826  1.00035727  1
  C  C83  1  0.17186794  0.15844902  0.49963675  1
  C  C84  1  0.32813424  0.65840366  -0.00031052  1
  C  C85  1  0.82816790  0.84160570  0.50032791  1
  C  C86  1  0.75932763  0.22760959  0.03198042  1
  C  C87  1  0.25934014  0.27238627  0.46802126  1
  C  C88  1  0.24069839  0.77231686  0.96799813  1
  C  C89  1  0.74069693  0.72767366  0.53200425  1
  C  C90  1  0.72723895  0.23812715  0.82699124  1
  C  C91  1  0.22723259  0.26185533  0.67300490  1
  C  C92  1  0.27268456  0.76194811  0.17300867  1
  C  C93  1  0.77269040  0.73806301  0.32699584  1
  C  C94  1  0.98966022  0.29674679  0.97460517  1
  C  C95  1  0.48965520  0.20323373  0.52538862  1
  C  C96  1  0.01042771  0.70312627  0.02538288  1
  C  C97  1  0.51043735  0.79686220  0.47460920  1
  N  N98  1  0.88099615  0.18329638  0.96376656  1
  N  N99  1  0.38100225  0.31670434  0.53624054  1
  N  N100  1  0.11898490  0.81670085  0.03622813  1
  N  N101  1  0.61899445  0.68329278  0.46376451  1
  N  N102  1  0.17630884  0.14295138  0.01938483  1
  N  N103  1  0.67628941  0.35704286  0.48061226  1
  N  N104  1  0.82380394  0.85688676  0.98063535  1
  N  N105  1  0.32380239  0.64311489  0.51936777  1
  N  N106  1  0.61534864  0.29461311  0.90019171  1
  N  N107  1  0.11534367  0.20536318  0.59981057  1
  N  N108  1  0.38460646  0.70539422  0.09986820  1
  N  N109  1  0.88459953  0.79460144  0.40013378  1
  O  O110  1  0.04109069  0.94242068  0.86360447  1
  O  O111  1  0.54115625  0.55766674  0.63636484  1
  O  O112  1  0.95787716  0.05897996  0.13588596  1
  O  O113  1  0.45783210  0.44101144  0.36412033  1
  O  O114  1  -0.00237802  0.94326586  0.63443170  1
  O  O115  1  0.49758863  0.55673779  0.86552745  1
  O  O116  1  1.00252508  0.05659156  0.36519321  1
  O  O117  1  0.50254432  0.44339816  0.13479403  1
  O  O118  1  0.90376973  0.41062624  0.64025569  1
  O  O119  1  0.40380811  0.08932636  0.85971420  1
  O  O120  1  0.09620467  0.58933338  0.35970395  1
  O  O121  1  0.59620089  0.91067957  0.14030554  1
  O  O122  1  0.04946073  0.66202458  0.68246359  1
  O  O123  1  0.54926347  0.83814050  0.81745171  1
  O  O124  1  0.95083624  0.33839896  0.31746510  1
  O  O125  1  0.45082799  0.16162543  0.18252672  1
  O  O126  1  0.29240944  0.86007545  0.71169782  1
  O  O127  1  0.79228805  0.63994525  0.78832534  1
  O  O128  1  0.70753576  0.13988976  0.28827298  1
  O  O129  1  0.20752862  0.36015415  0.21171318  1
  O  O130  1  0.03224256  0.49902867  0.82444047  1
  O  O131  1  0.53223782  1.00096039  0.67561912  1
  O  O132  1  0.96774015  0.50097454  0.17573544  1
  O  O133  1  0.46775396  -0.00094466  0.32428137  1
