# generated using pymatgen
data_CoNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48504900
_cell_length_b   13.98019912
_cell_length_c   14.88293124
_cell_angle_alpha   87.37665133
_cell_angle_beta   83.15482914
_cell_angle_gamma   89.60621063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH36Pd2C60(N2O)8
_chemical_formula_sum   'Co1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.66339932
_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  0.49999989  0.49999868  0.49999831  1
  Ni  Ni1  1  0.49999791  0.00000220  0.49999769  1
  H  H2  1  0.53247462  0.47674209  0.29776022  1
  H  H3  1  0.46752469  0.52325691  0.70223768  1
  H  H4  1  0.53796649  0.57440224  0.15381291  1
  H  H5  1  0.46202402  0.42559639  0.84618534  1
  H  H6  1  0.50259737  0.82597904  0.31368289  1
  H  H7  1  0.49741193  0.17402040  0.68631398  1
  H  H8  1  0.50333470  0.71915094  0.44958656  1
  H  H9  1  0.49667545  0.28084853  0.55041109  1
  H  H10  1  0.77491959  0.00388594  0.64021202  1
  H  H11  1  0.22508055  0.99611555  0.35979156  1
  H  H12  1  0.78221906  0.96078692  0.80233127  1
  H  H13  1  0.21777597  0.03921063  0.19767052  1
  H  H14  1  0.20078204  0.95375048  0.83237637  1
  H  H15  1  0.79921171  0.04625473  0.16762273  1
  H  H16  1  0.21581227  0.99686270  0.66886479  1
  H  H17  1  0.78418620  0.00314498  0.33113528  1
  H  H18  1  0.01571656  0.71803286  0.06849862  1
  H  H19  1  0.98428522  0.28196343  0.93150109  1
  H  H20  1  0.02609523  0.54056304  0.08356028  1
  H  H21  1  0.97391022  0.45943432  0.91643948  1
  H  H22  1  0.03758310  0.45861336  0.23538191  1
  H  H23  1  0.96241972  0.54138360  0.76461806  1
  H  H24  1  0.03587296  0.55481184  0.37149906  1
  H  H25  1  0.96412948  0.44518496  0.62850097  1
  H  H26  1  0.02729522  0.73289992  0.35609142  1
  H  H27  1  0.97270274  0.26709677  0.64390917  1
  H  H28  1  0.23801063  0.26363141  0.24219405  1
  H  H29  1  0.76200167  0.73637261  0.75781591  1
  H  H30  1  0.48902889  0.23497634  0.33613035  1
  H  H31  1  0.51099070  0.76502895  0.66387522  1
  H  H32  1  0.79864707  0.28857525  0.27749461  1
  H  H33  1  0.20137031  0.71142636  0.72250387  1
  H  H34  1  0.85525837  0.37513892  0.12661723  1
  H  H35  1  0.14475173  0.62485560  0.87337733  1
  H  H36  1  0.60206728  0.41013347  0.03601620  1
  H  H37  1  0.39793535  0.58986121  0.96398308  1
  Pd  Pd38  1  0.00918393  0.25821005  0.45915904  1
  Pd  Pd39  1  0.99081471  0.74179119  0.54083294  1
  C  C40  1  0.52645166  0.55433754  0.29832077  1
  C  C41  1  0.47354621  0.44566143  0.70167738  1
  C  C42  1  0.52813149  0.60857925  0.21811311  1
  C  C43  1  0.47186279  0.39141936  0.78188527  1
  C  C44  1  0.51756372  0.70920477  0.22119319  1
  C  C45  1  0.48243462  0.29079382  0.77880473  1
  C  C46  1  0.50894582  0.74908275  0.30709923  1
  C  C47  1  0.49105858  0.25091650  0.69289848  1
  C  C48  1  0.50950663  0.68892459  0.38328227  1
  C  C49  1  0.49049854  0.31107483  0.61671553  1
  C  C50  1  0.51242768  0.76671940  0.14216978  1
  C  C51  1  0.48756418  0.23327821  0.85782867  1
  C  C52  1  0.50575807  0.81614562  0.07142368  1
  C  C53  1  0.49422756  0.18385375  0.92857588  1
  C  C54  1  0.17645997  0.64033812  0.55554609  1
  C  C55  1  0.82353377  0.35966096  0.44444834  1
  C  C56  1  0.19344574  0.15974778  0.48715437  1
  C  C57  1  0.80655392  0.84025464  0.51283907  1
  C  C58  1  0.81436757  0.15869614  0.47519590  1
  C  C59  1  0.18562935  0.84130631  0.52479722  1
  C  C60  1  0.20081505  0.35885954  0.44897374  1
  C  C61  1  0.79918384  0.64114141  0.55102174  1
  C  C62  1  0.64983120  0.99043795  0.68395506  1
  C  C63  1  0.35016719  0.00956379  0.31604689  1
  C  C64  1  0.65482413  0.96567139  0.77464118  1
  C  C65  1  0.34517120  0.03433002  0.22536104  1
  C  C66  1  0.49151756  0.94672358  0.83060675  1
  C  C67  1  0.50847581  0.05328178  0.16939532  1
  C  C68  1  0.32999611  0.96186629  0.79135232  1
  C  C69  1  0.66999923  0.03813980  0.20864821  1
  C  C70  1  0.33923314  0.98650767  0.69985763  1
  C  C71  1  0.66076474  0.01349774  0.30014251  1
  C  C72  1  0.49067107  0.90971740  0.91970023  1
  C  C73  1  0.50932312  0.09028841  0.08030168  1
  C  C74  1  0.49764827  0.86637230  0.99357302  1
  C  C75  1  0.50233752  0.13362800  0.00642759  1
  C  C76  1  0.02226123  0.73535519  0.21160203  1
  C  C77  1  0.97773719  0.26464167  0.78839823  1
  C  C78  1  0.02184723  0.68168775  0.13420673  1
  C  C79  1  0.97815564  0.31830914  0.86579324  1
  C  C80  1  0.02708416  0.58249665  0.14331989  1
  C  C81  1  0.97291923  0.41750019  0.85668016  1
  C  C82  1  0.03319568  0.53647984  0.22848264  1
  C  C83  1  0.96680602  0.46351704  0.77151750  1
  C  C84  1  0.03265258  0.59060119  0.30515393  1
  C  C85  1  0.96734881  0.40939570  0.69484612  1
  C  C86  1  0.02734277  0.68975270  0.29719430  1
  C  C87  1  0.97265715  0.31024414  0.70280583  1
  C  C88  1  0.40634126  0.33826445  0.13373830  1
  C  C89  1  0.59366518  0.66173677  0.86626804  1
  C  C90  1  0.37333163  0.28850664  0.21836563  1
  C  C91  1  0.62667967  0.71149742  0.78164212  1
  C  C92  1  0.51423809  0.27215360  0.26985418  1
  C  C93  1  0.48577721  0.72785087  0.73015104  1
  C  C94  1  0.68810324  0.30275446  0.23711800  1
  C  C95  1  0.31191150  0.69724760  0.76288261  1
  C  C96  1  0.71967200  0.35229161  0.15286261  1
  C  C97  1  0.28033833  0.64770688  0.84713603  1
  C  C98  1  0.57985199  0.37144866  0.10137465  1
  C  C99  1  0.42015381  0.62854987  0.89862687  1
  N  N100  1  0.51611715  0.59262953  0.38012012  1
  N  N101  1  0.48388349  0.40736974  0.61987787  1
  N  N102  1  0.29054694  0.58246901  0.55699884  1
  N  N103  1  0.70944591  0.41753026  0.44299929  1
  N  N104  1  0.30466628  0.10343369  0.50143790  1
  N  N105  1  0.69533354  0.89656960  0.49855786  1
  N  N106  1  0.69773795  0.10216614  0.48555229  1
  N  N107  1  0.30225684  0.89783780  0.51444287  1
  N  N108  1  0.49582574  0.99772380  0.64536061  1
  N  N109  1  0.50417391  0.00227998  0.35464016  1
  N  N110  1  0.31502470  0.41552227  0.45071611  1
  N  N111  1  0.68497526  0.58447749  0.54928155  1
  N  N112  1  0.01679669  0.83857270  0.20375793  1
  N  N113  1  0.98319413  0.16142427  0.79624256  1
  N  N114  1  0.26343082  0.35377587  0.07925676  1
  N  N115  1  0.73657039  0.64622330  0.92075246  1
  O  O116  1  0.01629403  0.88312481  0.27478171  1
  O  O117  1  0.98368143  0.11687216  0.72521935  1
  O  O118  1  0.01289457  0.87782440  0.12751189  1
  O  O119  1  0.98710326  0.12217221  0.87248792  1
  O  O120  1  0.12252464  0.30547299  0.09853824  1
  O  O121  1  0.87747985  0.69452423  0.90147379  1
  O  O122  1  0.28577943  0.41445769  0.01432597  1
  O  O123  1  0.71421489  0.58554112  0.98568277  1
