# generated using pymatgen
data_VNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48508320
_cell_length_b   13.98018918
_cell_length_c   14.88270920
_cell_angle_alpha   87.37747515
_cell_angle_beta   83.15477473
_cell_angle_gamma   89.60629603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH36Pd2C60(N2O)8
_chemical_formula_sum   'V1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.64715569
_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
  Ni  Ni0  1  0.49999819  0.49999875  0.49999875  1
  V  V1  1  0.49999806  0.00000229  0.49999760  1
  H  H2  1  0.53257591  0.47699426  0.29778741  1
  H  H3  1  0.46742336  0.52300466  0.70221066  1
  H  H4  1  0.53791728  0.57448695  0.15390826  1
  H  H5  1  0.46207317  0.42551173  0.84608983  1
  H  H6  1  0.50258273  0.82582427  0.31350732  1
  H  H7  1  0.49742646  0.17417543  0.68648922  1
  H  H8  1  0.50322324  0.71875231  0.44936413  1
  H  H9  1  0.49678665  0.28124686  0.55063343  1
  H  H10  1  0.77619635  0.00392082  0.64015936  1
  H  H11  1  0.22380348  0.99608094  0.35984460  1
  H  H12  1  0.78227789  0.96074571  0.80242266  1
  H  H13  1  0.21771702  0.03925186  0.19757876  1
  H  H14  1  0.20069207  0.95369814  0.83249649  1
  H  H15  1  0.79930172  0.04630709  0.16750237  1
  H  H16  1  0.21460071  0.99684982  0.66889473  1
  H  H17  1  0.78539895  0.00315766  0.33110462  1
  H  H18  1  0.01577470  0.71802144  0.06870338  1
  H  H19  1  0.98422709  0.28197475  0.93129625  1
  H  H20  1  0.02603239  0.54056339  0.08371306  1
  H  H21  1  0.97397278  0.45943387  0.91628653  1
  H  H22  1  0.03737570  0.45854441  0.23545233  1
  H  H23  1  0.96262717  0.54145256  0.76454776  1
  H  H24  1  0.03583297  0.55475523  0.37151028  1
  H  H25  1  0.96416951  0.44524152  0.62848994  1
  H  H26  1  0.02721214  0.73288115  0.35600945  1
  H  H27  1  0.97278578  0.26711527  0.64399132  1
  H  H28  1  0.23814094  0.26375240  0.24223055  1
  H  H29  1  0.76187119  0.73625160  0.75777945  1
  H  H30  1  0.48915861  0.23526262  0.33614890  1
  H  H31  1  0.51086117  0.76474265  0.66385666  1
  H  H32  1  0.79870553  0.28869435  0.27760289  1
  H  H33  1  0.20131172  0.71130731  0.72239593  1
  H  H34  1  0.85524112  0.37520917  0.12671696  1
  H  H35  1  0.14476929  0.62478538  0.87327732  1
  H  H36  1  0.60205417  0.41008149  0.03610352  1
  H  H37  1  0.39794813  0.58991318  0.96389562  1
  Pd  Pd38  1  0.00914417  0.25841699  0.45937274  1
  Pd  Pd39  1  0.99085516  0.74158416  0.54061895  1
  C  C40  1  0.52645106  0.55451557  0.29860966  1
  C  C41  1  0.47354652  0.44548327  0.70138881  1
  C  C42  1  0.52808782  0.60853764  0.21827524  1
  C  C43  1  0.47190631  0.39146076  0.78172297  1
  C  C44  1  0.51762042  0.70917354  0.22111346  1
  C  C45  1  0.48237820  0.29082491  0.77888410  1
  C  C46  1  0.50899069  0.74889998  0.30707919  1
  C  C47  1  0.49101365  0.25109898  0.69291857  1
  C  C48  1  0.50953223  0.68851218  0.38314426  1
  C  C49  1  0.49047282  0.31148705  0.61685366  1
  C  C50  1  0.51240423  0.76670390  0.14219699  1
  C  C51  1  0.48758790  0.23329415  0.85780228  1
  C  C52  1  0.50572080  0.81614129  0.07139037  1
  C  C53  1  0.49426467  0.18385762  0.92860891  1
  C  C54  1  0.17645894  0.63980334  0.55608104  1
  C  C55  1  0.82353510  0.36019560  0.44391281  1
  C  C56  1  0.19378647  0.16011716  0.48688767  1
  C  C57  1  0.80621384  0.83988488  0.51310559  1
  C  C58  1  0.81403302  0.15908615  0.47512139  1
  C  C59  1  0.18596399  0.84091616  0.52487186  1
  C  C60  1  0.20108391  0.35949607  0.44866368  1
  C  C61  1  0.79891503  0.64050493  0.55133175  1
  C  C62  1  0.65130061  0.99039214  0.68415649  1
  C  C63  1  0.34869724  0.00960950  0.31584601  1
  C  C64  1  0.65517045  0.96578990  0.77455425  1
  C  C65  1  0.34482423  0.03421139  0.22544832  1
  C  C66  1  0.49149481  0.94674677  0.83051720  1
  C  C67  1  0.50849880  0.05325851  0.16948485  1
  C  C68  1  0.32966087  0.96197346  0.79132776  1
  C  C69  1  0.67033434  0.03803276  0.20867317  1
  C  C70  1  0.33780873  0.98640059  0.70015376  1
  C  C71  1  0.66218936  0.01360496  0.29984691  1
  C  C72  1  0.49075871  0.90970899  0.91951382  1
  C  C73  1  0.50923608  0.09029730  0.08048825  1
  C  C74  1  0.49763427  0.86634858  0.99347346  1
  C  C75  1  0.50235129  0.13365175  0.00652698  1
  C  C76  1  0.02229173  0.73550620  0.21167093  1
  C  C77  1  0.97770669  0.26449062  0.78832952  1
  C  C78  1  0.02190383  0.68167251  0.13432744  1
  C  C79  1  0.97809916  0.31832444  0.86567262  1
  C  C80  1  0.02707504  0.58251987  0.14341185  1
  C  C81  1  0.97292828  0.41747711  0.85658807  1
  C  C82  1  0.03314604  0.53645464  0.22858814  1
  C  C83  1  0.96685553  0.46354229  0.77141187  1
  C  C84  1  0.03265076  0.59059993  0.30524718  1
  C  C85  1  0.96735056  0.40939690  0.69475293  1
  C  C86  1  0.02732279  0.68970565  0.29720685  1
  C  C87  1  0.97267738  0.31029131  0.70279335  1
  C  C88  1  0.40606976  0.33829722  0.13367066  1
  C  C89  1  0.59393769  0.66170429  0.86633551  1
  C  C90  1  0.37333953  0.28861608  0.21834870  1
  C  C91  1  0.62667162  0.71138817  0.78165892  1
  C  C92  1  0.51420377  0.27226871  0.26981923  1
  C  C93  1  0.48581107  0.72773590  0.73018603  1
  C  C94  1  0.68816916  0.30284345  0.23712993  1
  C  C95  1  0.31184512  0.69715879  0.76287119  1
  C  C96  1  0.71960688  0.35238260  0.15285454  1
  C  C97  1  0.28040366  0.64761576  0.84714446  1
  C  C98  1  0.57973516  0.37145147  0.10142241  1
  C  C99  1  0.42027125  0.62854725  0.89857901  1
  N  N100  1  0.51594150  0.59239674  0.38049487  1
  N  N101  1  0.48405902  0.40760246  0.61950307  1
  N  N102  1  0.29150927  0.58238663  0.55636552  1
  N  N103  1  0.70848520  0.41761290  0.44363176  1
  N  N104  1  0.30455780  0.10346024  0.50179471  1
  N  N105  1  0.69544308  0.89654249  0.49819951  1
  N  N106  1  0.69765544  0.10210272  0.48549420  1
  N  N107  1  0.30233809  0.89790157  0.51450115  1
  N  N108  1  0.49582125  0.99736732  0.64504162  1
  N  N109  1  0.50417795  0.00263665  0.35495974  1
  N  N110  1  0.31572624  0.41574496  0.45106671  1
  N  N111  1  0.68427287  0.58425513  0.54893120  1
  N  N112  1  0.01682961  0.83853643  0.20379151  1
  N  N113  1  0.98316141  0.16146048  0.79620890  1
  N  N114  1  0.26343913  0.35372358  0.07931813  1
  N  N115  1  0.73656207  0.64627549  0.92069134  1
  O  O116  1  0.01631726  0.88302967  0.27490338  1
  O  O117  1  0.98365826  0.11696744  0.72509768  1
  O  O118  1  0.01290599  0.87768575  0.12752795  1
  O  O119  1  0.98709172  0.12231089  0.87247178  1
  O  O120  1  0.12275574  0.30526385  0.09863662  1
  O  O121  1  0.87724860  0.69473330  0.90137536  1
  O  O122  1  0.28595367  0.41451267  0.01443549  1
  O  O123  1  0.71404034  0.58548613  0.98557351  1
