# generated using pymatgen
data_VCrH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48489734
_cell_length_b   13.98000818
_cell_length_c   14.88286737
_cell_angle_alpha   87.37607049
_cell_angle_beta   83.15532665
_cell_angle_gamma   89.60606454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH36Pd2C60(N2O)8
_chemical_formula_sum   'V1 Cr1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.60526580
_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  0.49999904  0.49999943  0.49999872  1
  V  V1  1  0.49999796  0.00000235  0.49999723  1
  H  H2  1  0.53262534  0.47635827  0.29703722  1
  H  H3  1  0.46737378  0.52364078  0.70296112  1
  H  H4  1  0.53799116  0.57431054  0.15387641  1
  H  H5  1  0.46199930  0.42568810  0.84612184  1
  H  H6  1  0.50261659  0.82583500  0.31356211  1
  H  H7  1  0.49739264  0.17416408  0.68643445  1
  H  H8  1  0.50326723  0.71963415  0.44963407  1
  H  H9  1  0.49674269  0.28036554  0.55036364  1
  H  H10  1  0.77625721  0.00402731  0.64022133  1
  H  H11  1  0.22374265  0.99597446  0.35978274  1
  H  H12  1  0.78235367  0.96083884  0.80236404  1
  H  H13  1  0.21764177  0.03915874  0.19763774  1
  H  H14  1  0.20059470  0.95377463  0.83246665  1
  H  H15  1  0.79939904  0.04623056  0.16753244  1
  H  H16  1  0.21439880  0.99698537  0.66900396  1
  H  H17  1  0.78560054  0.00302183  0.33099572  1
  H  H18  1  0.01570481  0.71805329  0.06848870  1
  H  H19  1  0.98429693  0.28194302  0.93151085  1
  H  H20  1  0.02611700  0.54056450  0.08351119  1
  H  H21  1  0.97388856  0.45943275  0.91648857  1
  H  H22  1  0.03767809  0.45861983  0.23528247  1
  H  H23  1  0.96232469  0.54137718  0.76471759  1
  H  H24  1  0.03590393  0.55486867  0.37145512  1
  H  H25  1  0.96409848  0.44512819  0.62854492  1
  H  H26  1  0.02735133  0.73301895  0.35595440  1
  H  H27  1  0.97264662  0.26697737  0.64404646  1
  H  H28  1  0.23803563  0.26361846  0.24214448  1
  H  H29  1  0.76197678  0.73638571  0.75786543  1
  H  H30  1  0.48900249  0.23502739  0.33600458  1
  H  H31  1  0.51101711  0.76497782  0.66400113  1
  H  H32  1  0.79864683  0.28856978  0.27747104  1
  H  H33  1  0.20137075  0.71143186  0.72252763  1
  H  H34  1  0.85534322  0.37513134  0.12657467  1
  H  H35  1  0.14466706  0.62486322  0.87341986  1
  H  H36  1  0.60210339  0.41015797  0.03598709  1
  H  H37  1  0.39789916  0.58983668  0.96401221  1
  Pd  Pd38  1  0.00899719  0.25930031  0.45934574  1
  Pd  Pd39  1  0.99100165  0.74070069  0.54064605  1
  C  C40  1  0.52650983  0.55400657  0.29823674  1
  C  C41  1  0.47348778  0.44599236  0.70176118  1
  C  C42  1  0.52812052  0.60843201  0.21824088  1
  C  C43  1  0.47187375  0.39156650  0.78175737  1
  C  C44  1  0.51754898  0.70909035  0.22119980  1
  C  C45  1  0.48244920  0.29090833  0.77879872  1
  C  C46  1  0.50896489  0.74886100  0.30720644  1
  C  C47  1  0.49103947  0.25113823  0.69279120  1
  C  C48  1  0.50952055  0.68899723  0.38342750  1
  C  C49  1  0.49048473  0.31100199  0.61657031  1
  C  C50  1  0.51241628  0.76672659  0.14223821  1
  C  C51  1  0.48757568  0.23327181  0.85776044  1
  C  C52  1  0.50577648  0.81612568  0.07137251  1
  C  C53  1  0.49420923  0.18387332  0.92862647  1
  C  C54  1  0.17782763  0.63975963  0.55527511  1
  C  C55  1  0.82216770  0.36024002  0.44471931  1
  C  C56  1  0.19294477  0.16042317  0.48675355  1
  C  C57  1  0.80705514  0.83957895  0.51323962  1
  C  C58  1  0.81489762  0.15940734  0.47500287  1
  C  C59  1  0.18509945  0.84059485  0.52499056  1
  C  C60  1  0.20178257  0.35941397  0.44942506  1
  C  C61  1  0.79821579  0.64058678  0.55057024  1
  C  C62  1  0.65110393  0.99042808  0.68408221  1
  C  C63  1  0.34889371  0.00957377  0.31591988  1
  C  C64  1  0.65494381  0.96571172  0.77459988  1
  C  C65  1  0.34505146  0.03428973  0.22540215  1
  C  C66  1  0.49143580  0.94669217  0.83047147  1
  C  C67  1  0.50855745  0.05331298  0.16953095  1
  C  C68  1  0.32981380  0.96189744  0.79136160  1
  C  C69  1  0.67018137  0.03810867  0.20863908  1
  C  C70  1  0.33796104  0.98644973  0.70005240  1
  C  C71  1  0.66203696  0.01355586  0.29994775  1
  C  C72  1  0.49068922  0.90977014  0.91954699  1
  C  C73  1  0.50930450  0.09023547  0.08045532  1
  C  C74  1  0.49765764  0.86639320  0.99349329  1
  C  C75  1  0.50232833  0.13360726  0.00650728  1
  C  C76  1  0.02225951  0.73538885  0.21155963  1
  C  C77  1  0.97773867  0.26460813  0.78844058  1
  C  C78  1  0.02182583  0.68174903  0.13419725  1
  C  C79  1  0.97817689  0.31824784  0.86580275  1
  C  C80  1  0.02706154  0.58251835  0.14327707  1
  C  C81  1  0.97294197  0.41747855  0.85672299  1
  C  C82  1  0.03322639  0.53649932  0.22841123  1
  C  C83  1  0.96677540  0.46349766  0.77158891  1
  C  C84  1  0.03270127  0.59061027  0.30507551  1
  C  C85  1  0.96730012  0.40938658  0.69492468  1
  C  C86  1  0.02737964  0.68985534  0.29707671  1
  C  C87  1  0.97262025  0.31014155  0.70292346  1
  C  C88  1  0.40631821  0.33828561  0.13368908  1
  C  C89  1  0.59368845  0.66171553  0.86631728  1
  C  C90  1  0.37329512  0.28853964  0.21825181  1
  C  C91  1  0.62671596  0.71146431  0.78175589  1
  C  C92  1  0.51426076  0.27217629  0.26973791  1
  C  C93  1  0.48575451  0.72782819  0.73026699  1
  C  C94  1  0.68816026  0.30278459  0.23703209  1
  C  C95  1  0.31185402  0.69721747  0.76296861  1
  C  C96  1  0.71969426  0.35230306  0.15280907  1
  C  C97  1  0.28031606  0.64769535  0.84718960  1
  C  C98  1  0.57972063  0.37147180  0.10133994  1
  C  C99  1  0.42028563  0.62852685  0.89866149  1
  N  N100  1  0.51604036  0.59203841  0.38070335  1
  N  N101  1  0.48395992  0.40796061  0.61929486  1
  N  N102  1  0.29271928  0.58212697  0.55565406  1
  N  N103  1  0.70727497  0.41787229  0.44434338  1
  N  N104  1  0.30385668  0.10377920  0.50154852  1
  N  N105  1  0.69614394  0.89622341  0.49844590  1
  N  N106  1  0.69843951  0.10247091  0.48542708  1
  N  N107  1  0.30155439  0.89753325  0.51456815  1
  N  N108  1  0.49572639  0.99740475  0.64507573  1
  N  N109  1  0.50427283  0.00259927  0.35492589  1
  N  N110  1  0.31640170  0.41591404  0.45152428  1
  N  N111  1  0.68359745  0.58408556  0.54847335  1
  N  N112  1  0.01677799  0.83858403  0.20378894  1
  N  N113  1  0.98321286  0.16141295  0.79621144  1
  N  N114  1  0.26348617  0.35378577  0.07926942  1
  N  N115  1  0.73651477  0.64621335  0.92073992  1
  O  O116  1  0.01623425  0.88306763  0.27490898  1
  O  O117  1  0.98374205  0.11692953  0.72509212  1
  O  O118  1  0.01286859  0.87783909  0.12752328  1
  O  O119  1  0.98712899  0.12215759  0.87247659  1
  O  O120  1  0.12249077  0.30547871  0.09862701  1
  O  O121  1  0.87751403  0.69451864  0.90138508  1
  O  O122  1  0.28587686  0.41446876  0.01428679  1
  O  O123  1  0.71411702  0.58553006  0.98572195  1
