# generated using pymatgen
data_CrCoH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48497350
_cell_length_b   13.98007792
_cell_length_c   14.88293556
_cell_angle_alpha   87.37619638
_cell_angle_beta   83.15519484
_cell_angle_gamma   89.60601583
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoH36Pd2C60(N2O)8
_chemical_formula_sum   'Cr1 Co1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.63549206
_cell_formula_units_Z   1
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  0.49999956  0.49999883  0.49999848  1
  Cr  Cr1  1  0.49999829  0.00000226  0.49999763  1
  H  H2  1  0.53249720  0.47670224  0.29772563  1
  H  H3  1  0.46750227  0.52329681  0.70227219  1
  H  H4  1  0.53797178  0.57437962  0.15377843  1
  H  H5  1  0.46201872  0.42561900  0.84621974  1
  H  H6  1  0.50261472  0.82593347  0.31350631  1
  H  H7  1  0.49739444  0.17406601  0.68649032  1
  H  H8  1  0.50332148  0.71894850  0.44960964  1
  H  H9  1  0.49668848  0.28105097  0.55038801  1
  H  H10  1  0.77644601  0.00397540  0.64052099  1
  H  H11  1  0.22355374  0.99602584  0.35948241  1
  H  H12  1  0.78225586  0.96084685  0.80222193  1
  H  H13  1  0.21773892  0.03915066  0.19777980  1
  H  H14  1  0.20068390  0.95378752  0.83232314  1
  H  H15  1  0.79930965  0.04621763  0.16767615  1
  H  H16  1  0.21413293  0.99686333  0.66936864  1
  H  H17  1  0.78586602  0.00314383  0.33063119  1
  H  H18  1  0.01571482  0.71803489  0.06849472  1
  H  H19  1  0.98428695  0.28196134  0.93150497  1
  H  H20  1  0.02609570  0.54055758  0.08355611  1
  H  H21  1  0.97390973  0.45943981  0.91644368  1
  H  H22  1  0.03758343  0.45860319  0.23537257  1
  H  H23  1  0.96241942  0.54139373  0.76462741  1
  H  H24  1  0.03587064  0.55479727  0.37150623  1
  H  H25  1  0.96413180  0.44519954  0.62849376  1
  H  H26  1  0.02731138  0.73289030  0.35607992  1
  H  H27  1  0.97268659  0.26710634  0.64392077  1
  H  H28  1  0.23799309  0.26366499  0.24217929  1
  H  H29  1  0.76201912  0.73633906  0.75783063  1
  H  H30  1  0.48901554  0.23513680  0.33608852  1
  H  H31  1  0.51100404  0.76486852  0.66391703  1
  H  H32  1  0.79866556  0.28863186  0.27748436  1
  H  H33  1  0.20135172  0.71136979  0.72251414  1
  H  H34  1  0.85529819  0.37515835  0.12659070  1
  H  H35  1  0.14471202  0.62483620  0.87340382  1
  H  H36  1  0.60206899  0.41015137  0.03598821  1
  H  H37  1  0.39793363  0.58984329  0.96401109  1
  Pd  Pd38  1  0.00910062  0.25758814  0.45962820  1
  Pd  Pd39  1  0.99089803  0.74241288  0.54036395  1
  C  C40  1  0.52645144  0.55429446  0.29828288  1
  C  C41  1  0.47354633  0.44570446  0.70171529  1
  C  C42  1  0.52813661  0.60854136  0.21807864  1
  C  C43  1  0.47185759  0.39145730  0.78191969  1
  C  C44  1  0.51756802  0.70917388  0.22113861  1
  C  C45  1  0.48243026  0.29082478  0.77885930  1
  C  C46  1  0.50896708  0.74902391  0.30704553  1
  C  C47  1  0.49103729  0.25097526  0.69295227  1
  C  C48  1  0.50951456  0.68884772  0.38324014  1
  C  C49  1  0.49049071  0.31115168  0.61675767  1
  C  C50  1  0.51243273  0.76675240  0.14212304  1
  C  C51  1  0.48755922  0.23324518  0.85787575  1
  C  C52  1  0.50575221  0.81616887  0.07136095  1
  C  C53  1  0.49423332  0.18383056  0.92863832  1
  C  C54  1  0.17574448  0.64051481  0.55557920  1
  C  C55  1  0.82425037  0.35948421  0.44441517  1
  C  C56  1  0.19458302  0.15944169  0.48707867  1
  C  C57  1  0.80541650  0.84056072  0.51291504  1
  C  C58  1  0.81348965  0.15852949  0.47521493  1
  C  C59  1  0.18650778  0.84147288  0.52477839  1
  C  C60  1  0.20006492  0.35865337  0.44899716  1
  C  C61  1  0.79993347  0.64134778  0.55099823  1
  C  C62  1  0.65086048  0.99039191  0.68398644  1
  C  C63  1  0.34913690  0.00960983  0.31601538  1
  C  C64  1  0.65490692  0.96573636  0.77448547  1
  C  C65  1  0.34508800  0.03426487  0.22551681  1
  C  C66  1  0.49144586  0.94668275  0.83055907  1
  C  C67  1  0.50854734  0.05332263  0.16944317  1
  C  C68  1  0.32986975  0.96191792  0.79125719  1
  C  C69  1  0.67012549  0.03808813  0.20874363  1
  C  C70  1  0.33809516  0.98643760  0.70000133  1
  C  C71  1  0.66190319  0.01356780  0.29999901  1
  C  C72  1  0.49071156  0.90978890  0.91954178  1
  C  C73  1  0.50928328  0.09021698  0.08046048  1
  C  C74  1  0.49765310  0.86639085  0.99348892  1
  C  C75  1  0.50233278  0.13360933  0.00651163  1
  C  C76  1  0.02226258  0.73535515  0.21160082  1
  C  C77  1  0.97773583  0.26464169  0.78839950  1
  C  C78  1  0.02184625  0.68168553  0.13420005  1
  C  C79  1  0.97815660  0.31831141  0.86579994  1
  C  C80  1  0.02708371  0.58249328  0.14331490  1
  C  C81  1  0.97291968  0.41750356  0.85668510  1
  C  C82  1  0.03319336  0.53647189  0.22848003  1
  C  C83  1  0.96680831  0.46352504  0.77152011  1
  C  C84  1  0.03265199  0.59057831  0.30515678  1
  C  C85  1  0.96734939  0.40941850  0.69484338  1
  C  C86  1  0.02734843  0.68972897  0.29719632  1
  C  C87  1  0.97265151  0.31026791  0.70280377  1
  C  C88  1  0.40634407  0.33828590  0.13371167  1
  C  C89  1  0.59366242  0.66171531  0.86629468  1
  C  C90  1  0.37332291  0.28853197  0.21833035  1
  C  C91  1  0.62668838  0.71147208  0.78167746  1
  C  C92  1  0.51425673  0.27221351  0.26978668  1
  C  C93  1  0.48575855  0.72779104  0.73021849  1
  C  C94  1  0.68815973  0.30280046  0.23706563  1
  C  C95  1  0.31185493  0.69720164  0.76293500  1
  C  C96  1  0.71970587  0.35231769  0.15281817  1
  C  C97  1  0.28030444  0.64768084  0.84718048  1
  C  C98  1  0.57986021  0.37146709  0.10134249  1
  C  C99  1  0.42014563  0.62853150  0.89865898  1
  N  N100  1  0.51611799  0.59256035  0.38008023  1
  N  N101  1  0.48388275  0.40743882  0.61991769  1
  N  N102  1  0.28992312  0.58270998  0.55698889  1
  N  N103  1  0.71007077  0.41728912  0.44300893  1
  N  N104  1  0.30584325  0.10296827  0.50129854  1
  N  N105  1  0.69415715  0.89703517  0.49869640  1
  N  N106  1  0.69693983  0.10182864  0.48545059  1
  N  N107  1  0.30305431  0.89817579  0.51454441  1
  N  N108  1  0.49571380  0.99760669  0.64486899  1
  N  N109  1  0.50428491  0.00239738  0.35513173  1
  N  N110  1  0.31438754  0.41526619  0.45069668  1
  N  N111  1  0.68561210  0.58473355  0.54930130  1
  N  N112  1  0.01679211  0.83857304  0.20376679  1
  N  N113  1  0.98319848  0.16142393  0.79623371  1
  N  N114  1  0.26342655  0.35377589  0.07925081  1
  N  N115  1  0.73657465  0.64622329  0.92075842  1
  O  O116  1  0.01632217  0.88314541  0.27481264  1
  O  O117  1  0.98365415  0.11685168  0.72518844  1
  O  O118  1  0.01286720  0.87786399  0.12753754  1
  O  O119  1  0.98713053  0.12213270  0.87246237  1
  O  O120  1  0.12252665  0.30546176  0.09854551  1
  O  O121  1  0.87747784  0.69453546  0.90146651  1
  O  O122  1  0.28575591  0.41445692  0.01431722  1
  O  O123  1  0.71423842  0.58554188  0.98569150  1
