# generated using pymatgen
data_FeNi4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32685944
_cell_length_b   9.68210827
_cell_length_c   13.62051926
_cell_angle_alpha   103.60957937
_cell_angle_beta   89.99999706
_cell_angle_gamma   90.00015141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi4H32C12(NO2)6
_chemical_formula_sum   'Fe2 Ni8 H64 C24 N12 O24'
_cell_volume   1195.44692205
_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  0.10404599  0.82490774  0.74240330  1
  Ni  Ni1  1  0.60403393  0.67510682  0.75758503  1
  Ni  Ni2  1  0.89601206  0.17512578  0.25755036  1
  Ni  Ni3  1  0.39600744  0.32486421  0.24245312  1
  Ni  Ni4  1  0.93327780  0.55435590  0.73292502  1
  Ni  Ni5  1  0.43326825  0.94564879  0.76706801  1
  Ni  Ni6  1  0.06672053  0.44561250  0.26720373  1
  Ni  Ni7  1  0.56671884  0.05439477  0.23278217  1
  Fe  Fe8  1  0.00014755  0.99986552  1.00004948  1
  Fe  Fe9  1  0.50015612  0.50014114  0.49994431  1
  H  H10  1  0.18001861  0.21668953  0.10528002  1
  H  H11  1  0.68000626  0.28333746  0.39471138  1
  H  H12  1  0.81994227  0.78314265  0.89467019  1
  H  H13  1  0.31995151  0.71685782  0.60534157  1
  H  H14  1  0.26464650  0.11831430  0.99896521  1
  H  H15  1  0.76464920  0.38169804  0.50101840  1
  H  H16  1  0.73536721  0.88159128  0.00111288  1
  H  H17  1  0.23536781  0.61841057  0.49889213  1
  H  H18  1  0.55178758  0.45171047  0.85534952  1
  H  H19  1  0.05178525  0.04829565  0.64464761  1
  H  H20  1  0.44813670  0.54828432  0.14470941  1
  H  H21  1  0.94812938  0.95171007  0.35529859  1
  H  H22  1  0.51532202  0.22714356  0.88414437  1
  H  H23  1  0.01532042  0.27285469  0.61585351  1
  H  H24  1  0.48462118  0.77283122  0.11585295  1
  H  H25  1  0.98462139  0.72716940  0.38415256  1
  H  H26  1  0.73151485  0.01274899  0.85725269  1
  H  H27  1  0.23154427  0.48723978  0.64275309  1
  H  H28  1  0.26857512  0.98732346  0.14277794  1
  H  H29  1  0.76857790  0.51267326  0.35721247  1
  H  H30  1  0.88349449  0.05603303  0.79105679  1
  H  H31  1  0.38350432  0.44394658  0.70895526  1
  H  H32  1  0.11651521  0.94405690  0.20890512  1
  H  H33  1  0.61651839  0.55594293  0.29108842  1
  H  H34  1  0.19751617  0.33182843  0.95630137  1
  H  H35  1  0.69750356  0.16816511  0.54370458  1
  H  H36  1  0.80270308  0.66802105  0.04375577  1
  H  H37  1  0.30271433  0.83198136  0.45624648  1
  H  H38  1  0.27664257  0.12375634  0.84533061  1
  H  H39  1  0.77663207  0.37625755  0.65466921  1
  H  H40  1  0.72328967  0.87612866  0.15472238  1
  H  H41  1  0.22328070  0.62388941  0.34527990  1
  H  H42  1  0.54553858  0.41240954  0.10189968  1
  H  H43  1  0.04552172  0.08759022  0.39811627  1
  H  H44  1  0.45441413  0.58758882  0.89819875  1
  H  H45  1  0.95441816  0.91240950  0.60180084  1
  H  H46  1  0.71370910  0.44067123  -0.00180536  1
  H  H47  1  0.21369982  0.05932123  0.50180489  1
  H  H48  1  0.28608344  0.55944506  1.00180435  1
  H  H49  1  0.78607204  0.94054819  0.49820255  1
  H  H50  1  0.80568450  0.27169230  0.09246112  1
  H  H51  1  0.30570220  0.22830471  0.40754807  1
  H  H52  1  0.19438580  0.72839532  0.90749367  1
  H  H53  1  0.69437652  0.77158673  0.59250394  1
  H  H54  1  0.69427261  0.13359165  0.02800347  1
  H  H55  1  0.19429479  0.36640487  0.47200838  1
  H  H56  1  0.30585154  0.86647216  0.97190610  1
  H  H57  1  0.80585157  0.63351878  0.52809182  1
  H  H58  1  0.78430451  0.28998066  0.78988365  1
  H  H59  1  0.28428497  0.20999999  0.71012008  1
  H  H60  1  0.21556853  0.71011795  0.21010130  1
  H  H61  1  0.71556780  0.78989173  0.28990712  1
  H  H62  1  0.65365634  0.15387598  0.74264590  1
  H  H63  1  0.15364857  0.34612416  0.75735664  1
  H  H64  1  0.34632879  0.84616951  0.25734388  1
  H  H65  1  0.84633281  0.65384774  0.24265780  1
  H  H66  1  0.96686928  0.44908259  0.10716909  1
  H  H67  1  0.46687709  0.05092205  0.39282158  1
  H  H68  1  0.03310972  0.55070840  0.89300695  1
  H  H69  1  0.53308668  0.94932490  0.60696954  1
  H  H70  1  0.96540185  0.34261667  0.89092818  1
  H  H71  1  0.46541383  0.15741014  0.60910311  1
  H  H72  1  0.03461294  0.65728682  0.10902996  1
  H  H73  1  0.53461248  0.84271129  0.39096562  1
  C  C74  1  0.80177431  0.10004272  0.84716417  1
  C  C75  1  0.30178987  0.39993807  0.65284429  1
  C  C76  1  0.19826750  0.90004727  0.15282584  1
  C  C77  1  0.69826948  0.59995131  0.34716837  1
  C  C78  1  0.11993478  0.25316550  0.96947333  1
  C  C79  1  0.61994911  0.24683611  0.53051805  1
  C  C80  1  0.88012483  0.74677186  0.03053560  1
  C  C81  1  0.38012679  0.75322495  0.46946737  1
  C  C82  1  0.67320484  0.33091964  0.98141720  1
  C  C83  1  0.17320802  0.16907679  0.51858543  1
  C  C84  1  0.32672902  0.66914861  0.01857458  1
  C  C85  1  0.82672320  0.83084666  0.48143086  1
  C  C86  1  0.75823491  0.22485103  0.01881503  1
  C  C87  1  0.25825262  0.27514162  0.48119331  1
  C  C88  1  0.24182283  0.77526797  0.98114271  1
  C  C89  1  0.74181794  0.72472053  0.51885608  1
  C  C90  1  0.71363778  0.20981332  0.80977696  1
  C  C91  1  0.21363278  0.29017856  0.69022779  1
  C  C92  1  0.28631622  0.79023533  0.19021880  1
  C  C93  1  0.78631705  0.70977187  0.30978405  1
  C  C94  1  0.98419192  0.26027906  0.93460738  1
  C  C95  1  0.48422491  0.23971989  0.56540270  1
  C  C96  1  0.01590721  0.73969542  0.06538020  1
  C  C97  1  0.51590235  0.76030302  0.43461683  1
  N  N98  1  0.87426684  0.16382508  0.94450113  1
  N  N99  1  0.37428357  0.33615854  0.55550874  1
  N  N100  1  0.12575901  0.83630395  0.05546850  1
  N  N101  1  0.62575659  0.66368739  0.44452573  1
  N  N102  1  0.16586357  0.15859785  0.02504105  1
  N  N103  1  0.66587030  0.34140630  0.47495047  1
  N  N104  1  0.83412504  0.84128069  0.97498145  1
  N  N105  1  0.33412671  0.65871937  0.52502147  1
  N  N106  1  0.61084035  0.28634359  0.88658885  1
  N  N107  1  0.11083821  0.21365543  0.61341160  1
  N  N108  1  0.38909734  0.71364232  0.11340956  1
  N  N109  1  0.88909582  0.78635821  0.38659702  1
  O  O110  1  0.07546712  0.91694899  0.87636096  1
  O  O111  1  0.57546459  0.58304398  0.62363690  1
  O  O112  1  0.92447309  0.08329934  0.12353016  1
  O  O113  1  0.42446855  0.41669054  0.37647163  1
  O  O114  1  0.00670878  0.96358890  0.66236995  1
  O  O115  1  0.50670973  0.53641777  0.83763024  1
  O  O116  1  0.99327570  0.03635983  0.33753938  1
  O  O117  1  0.49328264  0.46363783  0.16247211  1
  O  O118  1  0.87629425  0.38535811  0.63539893  1
  O  O119  1  0.37629405  0.11462982  0.86461123  1
  O  O120  1  0.12368715  0.61466473  0.36465409  1
  O  O121  1  0.62369700  0.88534429  0.13534165  1
  O  O122  1  0.06233873  0.64070653  0.66776656  1
  O  O123  1  0.56239235  0.85933215  0.83220956  1
  O  O124  1  0.93766494  0.35923315  0.33235547  1
  O  O125  1  0.43763282  0.14075513  0.16764171  1
  O  O126  1  0.30013825  0.81720772  0.70522477  1
  O  O127  1  0.80011034  0.68273889  0.79478305  1
  O  O128  1  0.69989515  0.18274160  0.29464386  1
  O  O129  1  0.19990992  0.31729417  0.20532255  1
  O  O130  1  0.01290103  0.46833774  0.83809677  1
  O  O131  1  0.51285252  1.03166942  0.66188813  1
  O  O132  1  0.98695085  0.53158928  0.16200542  1
  O  O133  1  0.48695977  -0.03158551  0.33798586  1
