# generated using pymatgen
data_CrCoH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48497727
_cell_length_b   13.98017588
_cell_length_c   14.88306763
_cell_angle_alpha   87.37642560
_cell_angle_beta   83.15507766
_cell_angle_gamma   89.60603937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoH36Pd2C60(N2O)8
_chemical_formula_sum   'Cr1 Co1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.66070474
_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
  Cr  Cr0  1  0.49999916  0.49999949  0.49999872  1
  Co  Co1  1  0.49999819  0.00000295  0.49999672  1
  H  H2  1  0.53263071  0.47637378  0.29705719  1
  H  H3  1  0.46736836  0.52362528  0.70294123  1
  H  H4  1  0.53798963  0.57432229  0.15388279  1
  H  H5  1  0.46200082  0.42567633  0.84611554  1
  H  H6  1  0.50264395  0.82583421  0.31362871  1
  H  H7  1  0.49736535  0.17416507  0.68636789  1
  H  H8  1  0.50333046  0.71979293  0.44956374  1
  H  H9  1  0.49667924  0.28020680  0.55043399  1
  H  H10  1  0.77503612  0.00389540  0.64023297  1
  H  H11  1  0.22496438  0.99610588  0.35977076  1
  H  H12  1  0.78242112  0.96077737  0.80240949  1
  H  H13  1  0.21757431  0.03922024  0.19759226  1
  H  H14  1  0.20055887  0.95372805  0.83250993  1
  H  H15  1  0.79943501  0.04627710  0.16748919  1
  H  H16  1  0.21576840  0.99684176  0.66880295  1
  H  H17  1  0.78423001  0.00316537  0.33119732  1
  H  H18  1  0.01570646  0.71805158  0.06849113  1
  H  H19  1  0.98429523  0.28194472  0.93150845  1
  H  H20  1  0.02611585  0.54056534  0.08351559  1
  H  H21  1  0.97389014  0.45943181  0.91648421  1
  H  H22  1  0.03767622  0.45862682  0.23529107  1
  H  H23  1  0.96232657  0.54137017  0.76470901  1
  H  H24  1  0.03590606  0.55487857  0.37144778  1
  H  H25  1  0.96409634  0.44511829  0.62855226  1
  H  H26  1  0.02735365  0.73301020  0.35595034  1
  H  H27  1  0.97264430  0.26698624  0.64405037  1
  H  H28  1  0.23803910  0.26360321  0.24214300  1
  H  H29  1  0.76197339  0.73640095  0.75786689  1
  H  H30  1  0.48902978  0.23494993  0.33601192  1
  H  H31  1  0.51098984  0.76505525  0.66399380  1
  H  H32  1  0.79864760  0.28853104  0.27746326  1
  H  H33  1  0.20137007  0.71147064  0.72253546  1
  H  H34  1  0.85532245  0.37511969  0.12658897  1
  H  H35  1  0.14468781  0.62487486  0.87340558  1
  H  H36  1  0.60209941  0.41014591  0.03600545  1
  H  H37  1  0.39790317  0.58984878  0.96399382  1
  Pd  Pd38  1  0.00917017  0.25979574  0.45896676  1
  Pd  Pd39  1  0.99082861  0.74020505  0.54102501  1
  C  C40  1  0.52650795  0.55402494  0.29824722  1
  C  C41  1  0.47348969  0.44597399  0.70175075  1
  C  C42  1  0.52811745  0.60844091  0.21825439  1
  C  C43  1  0.47187681  0.39155766  0.78174392  1
  C  C44  1  0.51754353  0.70909174  0.22123703  1
  C  C45  1  0.48245470  0.29090693  0.77876163  1
  C  C46  1  0.50894308  0.74886286  0.30722881  1
  C  C47  1  0.49106131  0.25113651  0.69276884  1
  C  C48  1  0.50951807  0.68901402  0.38342758  1
  C  C49  1  0.49048729  0.31098538  0.61657021  1
  C  C50  1  0.51241550  0.76670355  0.14230355  1
  C  C51  1  0.48757638  0.23329462  0.85769478  1
  C  C52  1  0.50578086  0.81609316  0.07146947  1
  C  C53  1  0.49420489  0.18390606  0.92852954  1
  C  C54  1  0.17830273  0.63963780  0.55527354  1
  C  C55  1  0.82169253  0.36036182  0.44472078  1
  C  C56  1  0.19188391  0.16054212  0.48685752  1
  C  C57  1  0.80811605  0.83946011  0.51313600  1
  C  C58  1  0.81604673  0.15955040  0.47493757  1
  C  C59  1  0.18394982  0.84045171  0.52505574  1
  C  C60  1  0.20225241  0.35951526  0.44940921  1
  C  C61  1  0.79774560  0.64048536  0.55058612  1
  C  C62  1  0.65023618  0.99040997  0.68421120  1
  C  C63  1  0.34976208  0.00959168  0.31579066  1
  C  C64  1  0.65493812  0.96563576  0.77479291  1
  C  C65  1  0.34505725  0.03436581  0.22520885  1
  C  C66  1  0.49148159  0.94671896  0.83061410  1
  C  C67  1  0.50851194  0.05328635  0.16938797  1
  C  C68  1  0.32983842  0.96182445  0.79155006  1
  C  C69  1  0.67015673  0.03818171  0.20845033  1
  C  C70  1  0.33879686  0.98647015  0.70014988  1
  C  C71  1  0.66120070  0.01353520  0.29985021  1
  C  C72  1  0.49067117  0.90972954  0.91971898  1
  C  C73  1  0.50932235  0.09027603  0.08028337  1
  C  C74  1  0.49766185  0.86635238  0.99360178  1
  C  C75  1  0.50232414  0.13364805  0.00639891  1
  C  C76  1  0.02225731  0.73538268  0.21154841  1
  C  C77  1  0.97774086  0.26461424  0.78845178  1
  C  C78  1  0.02182370  0.68174840  0.13419712  1
  C  C79  1  0.97817902  0.31824851  0.86580281  1
  C  C80  1  0.02706116  0.58251609  0.14328241  1
  C  C81  1  0.97294240  0.41748086  0.85671771  1
  C  C82  1  0.03322733  0.53650649  0.22841586  1
  C  C83  1  0.96677446  0.46349048  0.77158430  1
  C  C84  1  0.03270057  0.59062485  0.30507280  1
  C  C85  1  0.96730079  0.40937205  0.69492738  1
  C  C86  1  0.02737284  0.68986972  0.29706768  1
  C  C87  1  0.97262707  0.31012704  0.70293259  1
  C  C88  1  0.40631384  0.33827061  0.13370598  1
  C  C89  1  0.59369272  0.66173052  0.86630038  1
  C  C90  1  0.37329371  0.28852370  0.21827413  1
  C  C91  1  0.62671739  0.71148027  0.78173350  1
  C  C92  1  0.51424693  0.27216141  0.26977682  1
  C  C93  1  0.48576836  0.72784301  0.73022812  1
  C  C94  1  0.68813243  0.30276386  0.23705935  1
  C  C95  1  0.31188193  0.69723816  0.76294130  1
  C  C96  1  0.71967981  0.35228734  0.15283340  1
  C  C97  1  0.28033049  0.64771104  0.84716530  1
  C  C98  1  0.57971191  0.37145957  0.10136100  1
  C  C99  1  0.42029441  0.62853902  0.89864046  1
  N  N100  1  0.51603586  0.59208000  0.38071293  1
  N  N101  1  0.48396461  0.40791902  0.61928530  1
  N  N102  1  0.29308809  0.58196880  0.55569762  1
  N  N103  1  0.70690618  0.41803049  0.44429976  1
  N  N104  1  0.30275195  0.10426565  0.50161207  1
  N  N105  1  0.69724871  0.89573789  0.49838327  1
  N  N106  1  0.69972918  0.10293183  0.48536213  1
  N  N107  1  0.30026472  0.89707199  0.51463327  1
  N  N108  1  0.49570815  0.99794063  0.64593968  1
  N  N109  1  0.50429132  0.00206288  0.35406192  1
  N  N110  1  0.31678007  0.41606108  0.45148206  1
  N  N111  1  0.68321900  0.58393837  0.54851550  1
  N  N112  1  0.01679758  0.83857029  0.20375826  1
  N  N113  1  0.98319336  0.16142673  0.79624213  1
  N  N114  1  0.26348459  0.35378681  0.07927193  1
  N  N115  1  0.73651625  0.64621232  0.92073738  1
  O  O116  1  0.01630416  0.88304297  0.27485451  1
  O  O117  1  0.98367197  0.11695416  0.72514662  1
  O  O118  1  0.01287625  0.87780015  0.12747942  1
  O  O119  1  0.98712131  0.12219659  0.87252040  1
  O  O120  1  0.12248774  0.30548796  0.09861658  1
  O  O121  1  0.87751691  0.69450935  0.90139558  1
  O  O122  1  0.28589155  0.41446977  0.01429302  1
  O  O123  1  0.71410210  0.58552908  0.98571565  1
