# generated using pymatgen
data_Fe3Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35659477
_cell_length_b   9.70480825
_cell_length_c   13.64457099
_cell_angle_alpha   103.51654676
_cell_angle_beta   89.99999779
_cell_angle_gamma   90.00018782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni2H32C12(NO2)6
_chemical_formula_sum   'Fe6 Ni4 H64 C24 N12 O24'
_cell_volume   1204.66432778
_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  0.10363621  0.83954473  0.73856315  1
  Ni  Ni1  1  0.60364277  0.66045022  0.76143621  1
  Ni  Ni2  1  0.89632885  0.16052708  0.26142250  1
  Ni  Ni3  1  0.39632266  0.33947804  0.23857926  1
  Fe  Fe4  1  0.93987298  0.55374457  0.73432265  1
  Fe  Fe5  1  0.43987804  0.94625347  0.76568056  1
  Fe  Fe6  1  0.06015780  0.44623396  0.26565680  1
  Fe  Fe7  1  0.56015383  0.05376462  0.23433493  1
  Fe  Fe8  1  0.00000676  0.99996855  1.00000485  1
  Fe  Fe9  1  0.50000746  0.50003102  0.49999622  1
  H  H10  1  0.18449335  0.20654979  0.09309622  1
  H  H11  1  0.68448589  0.29345115  0.40688998  1
  H  H12  1  0.81556473  0.79334001  0.90687708  1
  H  H13  1  0.31557486  0.70666258  0.59313326  1
  H  H14  1  0.27414580  0.09727090  0.99849970  1
  H  H15  1  0.77414294  0.40273048  0.50147850  1
  H  H16  1  0.72592771  0.90263565  0.00144798  1
  H  H17  1  0.22593447  0.59736046  0.49857451  1
  H  H18  1  0.56633653  0.44226798  0.86013143  1
  H  H19  1  0.06634590  0.05772620  0.63986754  1
  H  H20  1  0.43360385  0.55772896  0.13993646  1
  H  H21  1  0.93358572  0.94228510  0.36006847  1
  H  H22  1  0.46217486  0.18065492  0.88411523  1
  H  H23  1  -0.03783650  0.31935651  0.61587823  1
  H  H24  1  0.53792536  0.81934812  0.11593035  1
  H  H25  1  1.03794600  0.68063582  0.38407223  1
  H  H26  1  0.74556589  0.02762964  0.85671277  1
  H  H27  1  0.24556841  0.47236564  0.64329011  1
  H  H28  1  0.25445965  0.97240671  0.14325435  1
  H  H29  1  0.75446429  0.52760159  0.35674262  1
  H  H30  1  0.90069257  0.07258028  0.79673835  1
  H  H31  1  0.40069327  0.42742326  0.70326973  1
  H  H32  1  0.09931419  0.92752302  0.20324057  1
  H  H33  1  0.59931812  0.57247156  0.29675148  1
  H  H34  1  0.20754556  0.31993995  0.96001534  1
  H  H35  1  0.70754802  0.18005767  0.53996985  1
  H  H36  1  0.79253931  0.67995801  0.03999993  1
  H  H37  1  0.29254307  0.82004041  0.46001056  1
  H  H38  1  0.16694404  0.16036909  0.87138981  1
  H  H39  1  0.66700062  0.33962847  0.62859483  1
  H  H40  1  0.83294264  0.83959024  0.12858173  1
  H  H41  1  0.33287727  0.66040271  0.37143307  1
  H  H42  1  0.53695273  0.41784686  0.10474021  1
  H  H43  1  0.03694467  0.08216143  0.39526962  1
  H  H44  1  0.46304057  0.58218999  0.89535518  1
  H  H45  1  0.96304586  0.91780636  0.60463926  1
  H  H46  1  0.70393482  0.45613271  0.03341473  1
  H  H47  1  0.20393898  0.04386302  0.46658615  1
  H  H48  1  0.29604226  0.54384978  0.96661244  1
  H  H49  1  0.79603700  0.95615968  0.53339114  1
  H  H50  1  0.80519684  0.27330455  0.09970298  1
  H  H51  1  0.30521052  0.22669227  0.40030128  1
  H  H52  1  0.19479149  0.72665864  0.90029232  1
  H  H53  1  0.69477632  0.77333803  0.59970746  1
  H  H54  1  0.69193049  0.14460387  0.02719699  1
  H  H55  1  0.19194121  0.35538968  0.47280441  1
  H  H56  1  0.30809261  0.85535347  0.97276369  1
  H  H57  1  0.80808538  0.64465529  0.52723888  1
  H  H58  1  0.80862337  0.29556936  0.78064566  1
  H  H59  1  0.30862859  0.20443334  0.71936559  1
  H  H60  1  0.19130619  0.70455326  0.21940136  1
  H  H61  1  0.69129192  0.79544724  0.28058910  1
  H  H62  1  0.66371420  0.17768385  0.75356390  1
  H  H63  1  0.16371054  0.32231093  0.74643666  1
  H  H64  1  0.33625065  0.82239864  0.24643212  1
  H  H65  1  0.83625363  0.67761908  0.25357055  1
  H  H66  1  0.97968672  0.42743152  0.09844061  1
  H  H67  1  0.47972285  0.07256937  0.40156346  1
  H  H68  1  0.02026811  0.57253667  0.90155925  1
  H  H69  1  0.52023740  0.92745576  0.59843346  1
  H  H70  1  0.96769424  0.36544254  0.92247656  1
  H  H71  1  0.46771788  0.13456806  0.57754267  1
  H  H72  1  0.03242490  0.63452869  0.07749493  1
  H  H73  1  0.53240978  0.86545550  0.42248482  1
  C  C74  1  0.81669400  0.11525635  0.85101594  1
  C  C75  1  0.31669827  0.38474219  0.64898963  1
  C  C76  1  0.18330413  0.88480711  0.14896452  1
  C  C77  1  0.68330224  0.61519503  0.35103105  1
  C  C78  1  0.14050661  0.22410389  0.94734057  1
  C  C79  1  0.64051819  0.27589897  0.55265483  1
  C  C80  1  0.85953182  0.77581864  0.05268147  1
  C  C81  1  0.35952153  0.72417436  0.44732128  1
  C  C82  1  0.69448249  0.34839087  0.98571172  1
  C  C83  1  0.19449541  0.15160264  0.51429279  1
  C  C84  1  0.30547484  0.65159348  0.01431466  1
  C  C85  1  0.80545751  0.84841734  0.48568489  1
  C  C86  1  0.76298713  0.23357560  0.02393540  1
  C  C87  1  0.26299953  0.26641927  0.47606943  1
  C  C88  1  0.23701592  0.76640605  0.97605602  1
  C  C89  1  0.73700555  0.73360122  0.52394266  1
  C  C90  1  0.73511354  0.22996767  0.81452908  1
  C  C91  1  0.23511792  0.27002786  0.68547593  1
  C  C92  1  0.26483859  0.77008988  0.18548044  1
  C  C93  1  0.76482956  0.72992083  0.31451691  1
  C  C94  1  0.99080702  0.26875050  0.95054949  1
  C  C95  1  0.49081978  0.23125340  0.54945706  1
  C  C96  1  0.00924999  0.73124774  0.04948184  1
  C  C97  1  0.50924183  0.76874388  0.45050922  1
  N  N98  1  0.88145414  0.17133706  0.95322001  1
  N  N99  1  0.38146211  0.32866172  0.54678693  1
  N  N100  1  0.11854257  0.82868692  0.04676205  1
  N  N101  1  0.61853850  0.67131159  0.45323297  1
  N  N102  1  0.17495294  0.13918078  0.01994202  1
  N  N103  1  0.67495097  0.36081682  0.48004603  1
  N  N104  1  0.82510370  0.86068958  0.98004037  1
  N  N105  1  0.32510980  0.63931221  0.51997007  1
  N  N106  1  0.65159449  0.32475293  0.89340285  1
  N  N107  1  0.15160791  0.17523643  0.60660135  1
  N  N108  1  0.34833618  0.67524916  0.10662759  1
  N  N109  1  0.84831599  0.82477061  0.39336973  1
  O  O110  1  0.05657101  0.93213119  0.87149712  1
  O  O111  1  0.55658573  0.56786722  0.62850098  1
  O  O112  1  0.94323016  0.06807390  0.12844150  1
  O  O113  1  0.44320960  0.43192219  0.37156434  1
  O  O114  1  0.00558405  0.98043392  0.66398222  1
  O  O115  1  0.50558443  0.51956306  0.83601442  1
  O  O116  1  0.99436236  0.01954807  0.33593724  1
  O  O117  1  0.49436548  0.48046013  0.16407046  1
  O  O118  1  0.88385021  0.38557766  0.63847113  1
  O  O119  1  0.38386925  0.11442655  0.86153663  1
  O  O120  1  0.11628030  0.61445273  0.36139681  1
  O  O121  1  0.61625048  0.88554454  0.13857983  1
  O  O122  1  0.04866901  0.66100689  0.66724107  1
  O  O123  1  0.54868569  0.83899420  0.83275360  1
  O  O124  1  0.95135648  0.33902031  0.33278779  1
  O  O125  1  0.45133851  0.16097818  0.16721698  1
  O  O126  1  0.29469210  0.83471264  0.69699874  1
  O  O127  1  0.79469363  0.66527815  0.80301388  1
  O  O128  1  0.70529066  0.16534614  0.30304793  1
  O  O129  1  0.20529304  0.33466795  0.19693406  1
  O  O130  1  0.03549410  0.49329447  0.84330620  1
  O  O131  1  0.53548418  1.00669294  0.65668668  1
  O  O132  1  0.96448758  0.50667573  0.15669639  1
  O  O133  1  0.46450500  -0.00666969  0.34330784  1
