# generated using pymatgen
data_MnVH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48528473
_cell_length_b   13.98063342
_cell_length_c   14.88306945
_cell_angle_alpha   87.37724892
_cell_angle_beta   83.15470539
_cell_angle_gamma   89.60641765
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVH36Pd2C60(N2O)8
_chemical_formula_sum   'Mn1 V1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.77472344
_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
  Mn  Mn0  1  0.49999897  0.49999873  0.49999873  1
  V  V1  1  0.49999810  0.00000229  0.49999763  1
  H  H2  1  0.53255567  0.47671494  0.29728062  1
  H  H3  1  0.46744359  0.52328396  0.70271734  1
  H  H4  1  0.53793747  0.57439164  0.15373664  1
  H  H5  1  0.46205303  0.42560693  0.84626149  1
  H  H6  1  0.50256675  0.82601396  0.31348881  1
  H  H7  1  0.49744252  0.17398575  0.68650772  1
  H  H8  1  0.50321456  0.71926275  0.44950027  1
  H  H9  1  0.49679569  0.28073685  0.55049712  1
  H  H10  1  0.77618266  0.00391582  0.64014911  1
  H  H11  1  0.22381709  0.99608592  0.35985482  1
  H  H12  1  0.78227672  0.96073786  0.80242734  1
  H  H13  1  0.21771810  0.03925969  0.19757404  1
  H  H14  1  0.20069299  0.95369241  0.83249894  1
  H  H15  1  0.79930075  0.04631275  0.16749988  1
  H  H16  1  0.21462169  0.99684334  0.66888219  1
  H  H17  1  0.78537800  0.00316414  0.33111718  1
  H  H18  1  0.01578130  0.71802605  0.06869004  1
  H  H19  1  0.98422050  0.28197018  0.93130963  1
  H  H20  1  0.02602639  0.54054694  0.08368991  1
  H  H21  1  0.97397919  0.45945026  0.91630968  1
  H  H22  1  0.03740426  0.45854561  0.23540924  1
  H  H23  1  0.96259861  0.54145138  0.76459082  1
  H  H24  1  0.03587491  0.55480313  0.37144767  1
  H  H25  1  0.96412758  0.44519362  0.62855256  1
  H  H26  1  0.02721871  0.73291680  0.35597901  1
  H  H27  1  0.97277926  0.26707971  0.64402177  1
  H  H28  1  0.23813452  0.26372901  0.24222155  1
  H  H29  1  0.76187756  0.73627497  0.75778841  1
  H  H30  1  0.48922089  0.23512099  0.33605925  1
  H  H31  1  0.51079899  0.76488425  0.66394617  1
  H  H32  1  0.79875315  0.28863958  0.27757955  1
  H  H33  1  0.20126438  0.71136177  0.72241884  1
  H  H34  1  0.85526555  0.37520667  0.12672229  1
  H  H35  1  0.14474480  0.62478788  0.87327197  1
  H  H36  1  0.60205172  0.41008431  0.03610010  1
  H  H37  1  0.39795056  0.58991035  0.96389904  1
  Pd  Pd38  1  0.00909967  0.25775370  0.45957696  1
  Pd  Pd39  1  0.99089933  0.74224738  0.54041470  1
  C  C40  1  0.52655421  0.55432008  0.29803481  1
  C  C41  1  0.47344341  0.44567875  0.70196372  1
  C  C42  1  0.52815109  0.60850195  0.21803513  1
  C  C43  1  0.47184299  0.39149655  0.78196318  1
  C  C44  1  0.51763129  0.70924586  0.22098884  1
  C  C45  1  0.48236728  0.29075276  0.77900903  1
  C  C46  1  0.50902387  0.74915072  0.30696650  1
  C  C47  1  0.49098046  0.25084829  0.69303150  1
  C  C48  1  0.50955750  0.68924253  0.38310292  1
  C  C49  1  0.49044769  0.31075672  0.61689506  1
  C  C50  1  0.51239929  0.76674707  0.14217284  1
  C  C51  1  0.48759287  0.23325094  0.85782612  1
  C  C52  1  0.50570652  0.81616945  0.07135330  1
  C  C53  1  0.49427895  0.18382934  0.92864597  1
  C  C54  1  0.17527204  0.64090002  0.55570709  1
  C  C55  1  0.82472182  0.35909907  0.44428729  1
  C  C56  1  0.19375170  0.15989370  0.48689133  1
  C  C57  1  0.80624831  0.84010841  0.51310185  1
  C  C58  1  0.81418253  0.15893505  0.47512759  1
  C  C59  1  0.18581450  0.84106722  0.52486561  1
  C  C60  1  0.19965084  0.35839525  0.44907283  1
  C  C61  1  0.80034799  0.64160543  0.55092265  1
  C  C62  1  0.65130272  0.99039479  0.68415917  1
  C  C63  1  0.34869493  0.00960681  0.31584326  1
  C  C64  1  0.65517397  0.96579599  0.77455429  1
  C  C65  1  0.34482079  0.03420532  0.22544825  1
  C  C66  1  0.49149513  0.94675907  0.83051525  1
  C  C67  1  0.50849857  0.05324623  0.16948683  1
  C  C68  1  0.32965724  0.96198193  0.79132812  1
  C  C69  1  0.67033805  0.03802429  0.20867276  1
  C  C70  1  0.33781068  0.98640203  0.70015491  1
  C  C71  1  0.66218744  0.01360350  0.29984572  1
  C  C72  1  0.49076605  0.90971337  0.91949636  1
  C  C73  1  0.50922879  0.09029296  0.08050574  1
  C  C74  1  0.49763050  0.86635501  0.99345452  1
  C  C75  1  0.50235503  0.13364529  0.00654592  1
  C  C76  1  0.02228616  0.73552462  0.21164596  1
  C  C77  1  0.97771230  0.26447222  0.78835449  1
  C  C78  1  0.02189492  0.68168229  0.13431066  1
  C  C79  1  0.97810810  0.31831460  0.86568939  1
  C  C80  1  0.02707342  0.58253006  0.14337395  1
  C  C81  1  0.97292992  0.41746695  0.85662600  1
  C  C82  1  0.03315234  0.53645811  0.22853826  1
  C  C83  1  0.96684916  0.46353880  0.77146185  1
  C  C84  1  0.03267509  0.59063213  0.30519008  1
  C  C85  1  0.96732625  0.40936470  0.69481004  1
  C  C86  1  0.02733275  0.68973742  0.29718000  1
  C  C87  1  0.97266745  0.31025950  0.70282020  1
  C  C88  1  0.40606667  0.33829776  0.13366969  1
  C  C89  1  0.59394078  0.66170376  0.86633642  1
  C  C90  1  0.37332908  0.28861518  0.21833864  1
  C  C91  1  0.62668199  0.71138908  0.78166897  1
  C  C92  1  0.51420504  0.27226248  0.26980153  1
  C  C93  1  0.48580969  0.72774203  0.73020366  1
  C  C94  1  0.68819633  0.30284000  0.23712197  1
  C  C95  1  0.31181798  0.69716205  0.76287903  1
  C  C96  1  0.71961283  0.35238875  0.15285542  1
  C  C97  1  0.28039762  0.64760965  0.84714348  1
  C  C98  1  0.57973044  0.37146306  0.10142529  1
  C  C99  1  0.42027590  0.62853562  0.89857611  1
  N  N100  1  0.51605428  0.59272327  0.38011696  1
  N  N101  1  0.48394617  0.40727607  0.61988098  1
  N  N102  1  0.28860521  0.58288135  0.55892131  1
  N  N103  1  0.71138885  0.41711852  0.44107687  1
  N  N104  1  0.30472292  0.10342002  0.50183506  1
  N  N105  1  0.69527767  0.89658294  0.49815919  1
  N  N106  1  0.69759306  0.10212145  0.48549803  1
  N  N107  1  0.30240044  0.89788289  0.51449744  1
  N  N108  1  0.49582553  0.99735932  0.64503762  1
  N  N109  1  0.50417369  0.00264458  0.35496372  1
  N  N110  1  0.31423474  0.41524706  0.44889541  1
  N  N111  1  0.68576490  0.58475266  0.55110199  1
  N  N112  1  0.01682811  0.83854004  0.20378220  1
  N  N113  1  0.98316288  0.16145687  0.79621823  1
  N  N114  1  0.26343590  0.35372175  0.07931670  1
  N  N115  1  0.73656516  0.64627732  0.92069273  1
  O  O116  1  0.01631834  0.88301756  0.27491046  1
  O  O117  1  0.98365710  0.11697956  0.72509063  1
  O  O118  1  0.01289994  0.87769228  0.12752879  1
  O  O119  1  0.98709770  0.12230441  0.87247091  1
  O  O120  1  0.12275217  0.30527154  0.09863946  1
  O  O121  1  0.87725210  0.69472557  0.90137250  1
  O  O122  1  0.28593864  0.41452426  0.01443994  1
  O  O123  1  0.71405508  0.58547457  0.98556900  1
