# generated using pymatgen
data_CrNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48483268
_cell_length_b   13.97990579
_cell_length_c   14.88286122
_cell_angle_alpha   87.37650511
_cell_angle_beta   83.15500207
_cell_angle_gamma   89.60614694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH36Pd2C60(N2O)8
_chemical_formula_sum   'Cr1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.57945918
_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  0.49999865  0.49999982  0.49999876  1
  Ni  Ni1  1  0.49999822  0.00000194  0.49999768  1
  H  H2  1  0.53266916  0.47636019  0.29712492  1
  H  H3  1  0.46732999  0.52363881  0.70287300  1
  H  H4  1  0.53796439  0.57433760  0.15390850  1
  H  H5  1  0.46202610  0.42566096  0.84608976  1
  H  H6  1  0.50259973  0.82588050  0.31373381  1
  H  H7  1  0.49740962  0.17411897  0.68626269  1
  H  H8  1  0.50330824  0.71972348  0.44964772  1
  H  H9  1  0.49670154  0.28027630  0.55034996  1
  H  H10  1  0.77485779  0.00387460  0.64016133  1
  H  H11  1  0.22514257  0.99612697  0.35984236  1
  H  H12  1  0.78219096  0.96076514  0.80234731  1
  H  H13  1  0.21780396  0.03923238  0.19765452  1
  H  H14  1  0.20082175  0.95373357  0.83238968  1
  H  H15  1  0.79917185  0.04627173  0.16760937  1
  H  H16  1  0.21590659  0.99684638  0.66879437  1
  H  H17  1  0.78409193  0.00316132  0.33120555  1
  H  H18  1  0.01573682  0.71805574  0.06848194  1
  H  H19  1  0.98426495  0.28194058  0.93151772  1
  H  H20  1  0.02607349  0.54055437  0.08355847  1
  H  H21  1  0.97393218  0.45944298  0.91644130  1
  H  H22  1  0.03756332  0.45861610  0.23534609  1
  H  H23  1  0.96243953  0.54138088  0.76465389  1
  H  H24  1  0.03589416  0.55486352  0.37144910  1
  H  H25  1  0.96410827  0.44513327  0.62855095  1
  H  H26  1  0.02728677  0.73298697  0.35604121  1
  H  H27  1  0.97271115  0.26700964  0.64395944  1
  H  H28  1  0.23801819  0.26361720  0.24220307  1
  H  H29  1  0.76199406  0.73638679  0.75780691  1
  H  H30  1  0.48910663  0.23488848  0.33608243  1
  H  H31  1  0.51091289  0.76511666  0.66392318  1
  H  H32  1  0.79870452  0.28852498  0.27748604  1
  H  H33  1  0.20131278  0.71147669  0.72251254  1
  H  H34  1  0.85525006  0.37514632  0.12664614  1
  H  H35  1  0.14476021  0.62484817  0.87334841  1
  H  H36  1  0.60205042  0.41013204  0.03602233  1
  H  H37  1  0.39795223  0.58986258  0.96397702  1
  Pd  Pd38  1  0.00912636  0.25925377  0.45913293  1
  Pd  Pd39  1  0.99087233  0.74074707  0.54085914  1
  C  C40  1  0.52650602  0.55403794  0.29821651  1
  C  C41  1  0.47349157  0.44596101  0.70178182  1
  C  C42  1  0.52812375  0.60843124  0.21824409  1
  C  C43  1  0.47187049  0.39156739  0.78175426  1
  C  C44  1  0.51753822  0.70916469  0.22118937  1
  C  C45  1  0.48246011  0.29083402  0.77880863  1
  C  C46  1  0.50896105  0.74896226  0.30725129  1
  C  C47  1  0.49104333  0.25103679  0.69274657  1
  C  C48  1  0.50949933  0.68916382  0.38341819  1
  C  C49  1  0.49050597  0.31083545  0.61657979  1
  C  C50  1  0.51242563  0.76672859  0.14229094  1
  C  C51  1  0.48756653  0.23326914  0.85770786  1
  C  C52  1  0.50573698  0.81611445  0.07147488  1
  C  C53  1  0.49424842  0.18388507  0.92852449  1
  C  C54  1  0.17815914  0.63986559  0.55528610  1
  C  C55  1  0.82183586  0.36013344  0.44470840  1
  C  C56  1  0.19264890  0.16004520  0.48693294  1
  C  C57  1  0.80735060  0.83995734  0.51306044  1
  C  C58  1  0.81517576  0.15902419  0.47511835  1
  C  C59  1  0.18482120  0.84097816  0.52487474  1
  C  C60  1  0.20217590  0.35927911  0.44940859  1
  C  C61  1  0.79782240  0.64072160  0.55058665  1
  C  C62  1  0.64982553  0.99043892  0.68396575  1
  C  C63  1  0.35017297  0.00956278  0.31603643  1
  C  C64  1  0.65479249  0.96567618  0.77466412  1
  C  C65  1  0.34520264  0.03432518  0.22533811  1
  C  C66  1  0.49152573  0.94672068  0.83066628  1
  C  C67  1  0.50846789  0.05328476  0.16933579  1
  C  C68  1  0.33004232  0.96187728  0.79136626  1
  C  C69  1  0.66995291  0.03812885  0.20863428  1
  C  C70  1  0.33925554  0.98649863  0.69986451  1
  C  C71  1  0.66074229  0.01350680  0.30013563  1
  C  C72  1  0.49069048  0.90968606  0.91971289  1
  C  C73  1  0.50930394  0.09031990  0.08028905  1
  C  C74  1  0.49764650  0.86632950  0.99359360  1
  C  C75  1  0.50233935  0.13367070  0.00640677  1
  C  C76  1  0.02226978  0.73536258  0.21157859  1
  C  C77  1  0.97772871  0.26463421  0.78842167  1
  C  C78  1  0.02184949  0.68168307  0.13417157  1
  C  C79  1  0.97815345  0.31831367  0.86582843  1
  C  C80  1  0.02708415  0.58249364  0.14328566  1
  C  C81  1  0.97291927  0.41750318  0.85671440  1
  C  C82  1  0.03321658  0.53649644  0.22844136  1
  C  C83  1  0.96678501  0.46350045  0.77155878  1
  C  C84  1  0.03269284  0.59061523  0.30512566  1
  C  C85  1  0.96730853  0.40938165  0.69487452  1
  C  C86  1  0.02737877  0.68977335  0.29719150  1
  C  C87  1  0.97262123  0.31022362  0.70280858  1
  C  C88  1  0.40637413  0.33826437  0.13375500  1
  C  C89  1  0.59363242  0.66173692  0.86625127  1
  C  C90  1  0.37333655  0.28848955  0.21838505  1
  C  C91  1  0.62667473  0.71151445  0.78162282  1
  C  C92  1  0.51424404  0.27212093  0.26985529  1
  C  C93  1  0.48577132  0.72788354  0.73014976  1
  C  C94  1  0.68811009  0.30275075  0.23711547  1
  C  C95  1  0.31190464  0.69725136  0.76288519  1
  C  C96  1  0.71969551  0.35231781  0.15287303  1
  C  C97  1  0.28031483  0.64768070  0.84712573  1
  C  C98  1  0.57989442  0.37147062  0.10138568  1
  C  C99  1  0.42011141  0.62852798  0.89861583  1
  N  N100  1  0.51601224  0.59210762  0.38074675  1
  N  N101  1  0.48398796  0.40789144  0.61925124  1
  N  N102  1  0.29278237  0.58207493  0.55583777  1
  N  N103  1  0.70721272  0.41792426  0.44415939  1
  N  N104  1  0.30386339  0.10378877  0.50140526  1
  N  N105  1  0.69613630  0.89621461  0.49859046  1
  N  N106  1  0.69853469  0.10249650  0.48548271  1
  N  N107  1  0.30145988  0.89750747  0.51451245  1
  N  N108  1  0.49583222  0.99773007  0.64529774  1
  N  N109  1  0.50416747  0.00227363  0.35470303  1
  N  N110  1  0.31656842  0.41599494  0.45130982  1
  N  N111  1  0.68343060  0.58400462  0.54868793  1
  N  N112  1  0.01680900  0.83855663  0.20376290  1
  N  N113  1  0.98318189  0.16144022  0.79623749  1
  N  N114  1  0.26346309  0.35375370  0.07928194  1
  N  N115  1  0.73653802  0.64624549  0.92072728  1
  O  O116  1  0.01630112  0.88312486  0.27478757  1
  O  O117  1  0.98367403  0.11687216  0.72521352  1
  O  O118  1  0.01289059  0.87784971  0.12751814  1
  O  O119  1  0.98710733  0.12214691  0.87248163  1
  O  O120  1  0.12250627  0.30544782  0.09853518  1
  O  O121  1  0.87749829  0.69454932  0.90147688  1
  O  O122  1  0.28572982  0.41449347  0.01431482  1
  O  O123  1  0.71426430  0.58550536  0.98569392  1
