# generated using pymatgen
data_VNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48493824
_cell_length_b   13.98006009
_cell_length_c   14.88272879
_cell_angle_alpha   87.37643105
_cell_angle_beta   83.15486786
_cell_angle_gamma   89.60639207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH36Pd2C60(N2O)8
_chemical_formula_sum   'V1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.60403246
_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
  V  V0  1  0.49999864  0.49999898  0.49999810  1
  Ni  Ni1  1  0.49999775  0.00000248  0.49999769  1
  H  H2  1  0.53273037  0.47621244  0.29743311  1
  H  H3  1  0.46726885  0.52378659  0.70256530  1
  H  H4  1  0.53793464  0.57438460  0.15389616  1
  H  H5  1  0.46205584  0.42561395  0.84610190  1
  H  H6  1  0.50259555  0.82584933  0.31365112  1
  H  H7  1  0.49741371  0.17415060  0.68634541  1
  H  H8  1  0.50316966  0.71963137  0.44992316  1
  H  H9  1  0.49684022  0.28036842  0.55007440  1
  H  H10  1  0.77458726  0.00379226  0.64024822  1
  H  H11  1  0.22541284  0.99620932  0.35975574  1
  H  H12  1  0.78214287  0.96072003  0.80239024  1
  H  H13  1  0.21785138  0.03927755  0.19761108  1
  H  H14  1  0.20092399  0.95369583  0.83240997  1
  H  H15  1  0.79907008  0.04630937  0.16758892  1
  H  H16  1  0.21623797  0.99674759  0.66879024  1
  H  H17  1  0.78376082  0.00326004  0.33120995  1
  H  H18  1  0.01578208  0.71803354  0.06865672  1
  H  H19  1  0.98421970  0.28196269  0.93134289  1
  H  H20  1  0.02602955  0.54054737  0.08367757  1
  H  H21  1  0.97397609  0.45944985  0.91632210  1
  H  H22  1  0.03746049  0.45856606  0.23536083  1
  H  H23  1  0.96254237  0.54143096  0.76463922  1
  H  H24  1  0.03588095  0.55486019  0.37143499  1
  H  H25  1  0.96412154  0.44513660  0.62856526  1
  H  H26  1  0.02722498  0.73294402  0.35593063  1
  H  H27  1  0.97277287  0.26705237  0.64407013  1
  H  H28  1  0.23813173  0.26369446  0.24220631  1
  H  H29  1  0.76188047  0.73630949  0.75780369  1
  H  H30  1  0.48923443  0.23490394  0.33608059  1
  H  H31  1  0.51078534  0.76510123  0.66392491  1
  H  H32  1  0.79882728  0.28853464  0.27755413  1
  H  H33  1  0.20119045  0.71146669  0.72244421  1
  H  H34  1  0.85523164  0.37518277  0.12673370  1
  H  H35  1  0.14477868  0.62481177  0.87326061  1
  H  H36  1  0.60205373  0.41007738  0.03610879  1
  H  H37  1  0.39794858  0.58991732  0.96389030  1
  Pd  Pd38  1  0.00925026  0.25895290  0.45912145  1
  Pd  Pd39  1  0.99074867  0.74104802  0.54087027  1
  C  C40  1  0.52653030  0.55387487  0.29815898  1
  C  C41  1  0.47346724  0.44612403  0.70183935  1
  C  C42  1  0.52813474  0.60825296  0.21834772  1
  C  C43  1  0.47185937  0.39174574  0.78165038  1
  C  C44  1  0.51760411  0.70905970  0.22125528  1
  C  C45  1  0.48239448  0.29093892  0.77874292  1
  C  C46  1  0.50897348  0.74892638  0.30737054  1
  C  C47  1  0.49103085  0.25107275  0.69262786  1
  C  C48  1  0.50947939  0.68939233  0.38361048  1
  C  C49  1  0.49052592  0.31060682  0.61638768  1
  C  C50  1  0.51239975  0.76667157  0.14236242  1
  C  C51  1  0.48759245  0.23332596  0.85763632  1
  C  C52  1  0.50572076  0.81609074  0.07150308  1
  C  C53  1  0.49426474  0.18390810  0.92849630  1
  C  C54  1  0.17772298  0.64014825  0.55555576  1
  C  C55  1  0.82227161  0.35985110  0.44443869  1
  C  C56  1  0.19300247  0.15973474  0.48700868  1
  C  C57  1  0.80699770  0.84026770  0.51298463  1
  C  C58  1  0.81481087  0.15870128  0.47514742  1
  C  C59  1  0.18518568  0.84130117  0.52484563  1
  C  C60  1  0.20227331  0.35921677  0.44929688  1
  C  C61  1  0.79772563  0.64078414  0.55069843  1
  C  C62  1  0.64964134  0.99042276  0.68396875  1
  C  C63  1  0.35035680  0.00957885  0.31603333  1
  C  C64  1  0.65478001  0.96571641  0.77463061  1
  C  C65  1  0.34521450  0.03428494  0.22537161  1
  C  C66  1  0.49153909  0.94676339  0.83066800  1
  C  C67  1  0.50845439  0.05324204  0.16933405  1
  C  C68  1  0.33010193  0.96192426  0.79130936  1
  C  C69  1  0.66989341  0.03808203  0.20869113  1
  C  C70  1  0.33951106  0.98648722  0.69980871  1
  C  C71  1  0.66048730  0.01351814  0.30019156  1
  C  C72  1  0.49074151  0.90966791  0.91967818  1
  C  C73  1  0.50925341  0.09033831  0.08032387  1
  C  C74  1  0.49763467  0.86629334  0.99358354  1
  C  C75  1  0.50235083  0.13370699  0.00641700  1
  C  C76  1  0.02228997  0.73553484  0.21160657  1
  C  C77  1  0.97770849  0.26446197  0.78839382  1
  C  C78  1  0.02190360  0.68169335  0.13427884  1
  C  C79  1  0.97809940  0.31830358  0.86572118  1
  C  C80  1  0.02708296  0.58254145  0.14334664  1
  C  C81  1  0.97292039  0.41745555  0.85665330  1
  C  C82  1  0.03317764  0.53648098  0.22850260  1
  C  C83  1  0.96682386  0.46351592  0.77149750  1
  C  C84  1  0.03266233  0.59067489  0.30514291  1
  C  C85  1  0.96733897  0.40932193  0.69485724  1
  C  C86  1  0.02734380  0.68978373  0.29711975  1
  C  C87  1  0.97265641  0.31021321  0.70288043  1
  C  C88  1  0.40607553  0.33826676  0.13367872  1
  C  C89  1  0.59393187  0.66173476  0.86632739  1
  C  C90  1  0.37334256  0.28856779  0.21835514  1
  C  C91  1  0.62666861  0.71143643  0.78165242  1
  C  C92  1  0.51416644  0.27222874  0.26988982  1
  C  C93  1  0.48584840  0.72777576  0.73011535  1
  C  C94  1  0.68813441  0.30282991  0.23720148  1
  C  C95  1  0.31187985  0.69717208  0.76279951  1
  C  C96  1  0.71959076  0.35236054  0.15288678  1
  C  C97  1  0.28041954  0.64763779  0.84711217  1
  C  C98  1  0.57973021  0.37144728  0.10144073  1
  C  C99  1  0.42027611  0.62855151  0.89856063  1
  N  N100  1  0.51587682  0.59216448  0.38085071  1
  N  N101  1  0.48412344  0.40783466  0.61914715  1
  N  N102  1  0.29205085  0.58206212  0.55673184  1
  N  N103  1  0.70794247  0.41793698  0.44326527  1
  N  N104  1  0.30436034  0.10357653  0.50148156  1
  N  N105  1  0.69564009  0.89642703  0.49851418  1
  N  N106  1  0.69802843  0.10225678  0.48551037  1
  N  N107  1  0.30196675  0.89774678  0.51448486  1
  N  N108  1  0.49585059  0.99771011  0.64513495  1
  N  N109  1  0.50414893  0.00229376  0.35486549  1
  N  N110  1  0.31670682  0.41622007  0.45074658  1
  N  N111  1  0.68329326  0.58377950  0.54925204  1
  N  N112  1  0.01684059  0.83851976  0.20375927  1
  N  N113  1  0.98315047  0.16147712  0.79624106  1
  N  N114  1  0.26344275  0.35372216  0.07931920  1
  N  N115  1  0.73655833  0.64627693  0.92069020  1
  O  O116  1  0.01635234  0.88295253  0.27487843  1
  O  O117  1  0.98362262  0.11704441  0.72512269  1
  O  O118  1  0.01291592  0.87765944  0.12748908  1
  O  O119  1  0.98708183  0.12233723  0.87251061  1
  O  O120  1  0.12272349  0.30529754  0.09865601  1
  O  O121  1  0.87728077  0.69469960  0.90135598  1
  O  O122  1  0.28596090  0.41452638  0.01443610  1
  O  O123  1  0.71403272  0.58547246  0.98557286  1
