# generated using pymatgen
data_VFeH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48389955
_cell_length_b   13.97818201
_cell_length_c   14.88281193
_cell_angle_alpha   87.36141587
_cell_angle_beta   83.16071485
_cell_angle_gamma   89.60612835
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH36Pd2C60(N2O)8
_chemical_formula_sum   'V1 Fe1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.19119899
_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  0.49999936  0.49999982  0.49999845  1
  Fe  Fe1  1  0.49999919  0.00000143  0.49999827  1
  H  H2  1  0.53177331  0.47587909  0.29756574  1
  H  H3  1  0.46822478  0.52411987  0.70243339  1
  H  H4  1  0.53863311  0.57379144  0.15420354  1
  H  H5  1  0.46135794  0.42620688  0.84579508  1
  H  H6  1  0.50306205  0.82568473  0.31379659  1
  H  H7  1  0.49694678  0.17431428  0.68620118  1
  H  H8  1  0.50403597  0.71970461  0.44984380  1
  H  H9  1  0.49597451  0.28029465  0.55015378  1
  H  H10  1  0.77658418  0.00510466  0.64165820  1
  H  H11  1  0.22341560  0.99489602  0.35834333  1
  H  H12  1  0.78229887  0.96174408  0.80180186  1
  H  H13  1  0.21769603  0.03825456  0.19820036  1
  H  H14  1  0.19993099  0.95448404  0.83221417  1
  H  H15  1  0.80006445  0.04552135  0.16778477  1
  H  H16  1  0.21241800  0.99836109  0.67089343  1
  H  H17  1  0.78757683  0.00164437  0.32910890  1
  H  H18  1  0.01471260  0.71818956  0.06759297  1
  H  H19  1  0.98528852  0.28180710  0.93240638  1
  H  H20  1  0.02711740  0.54095760  0.08252226  1
  H  H21  1  0.97288742  0.45903929  0.91747763  1
  H  H22  1  0.04072114  0.45896391  0.23419426  1
  H  H23  1  0.95928130  0.54103345  0.76580603  1
  H  H24  1  0.03628269  0.55527929  0.37081942  1
  H  H25  1  0.96371968  0.44471824  0.62918060  1
  H  H26  1  0.02863869  0.73323643  0.35514510  1
  H  H27  1  0.97135970  0.26675920  0.64485574  1
  H  H28  1  0.23782355  0.26283374  0.24104989  1
  H  H29  1  0.76218823  0.73717079  0.75896100  1
  H  H30  1  0.48763845  0.23419896  0.33510911  1
  H  H31  1  0.51238165  0.76580719  0.66489716  1
  H  H32  1  0.79811519  0.28780905  0.27679427  1
  H  H33  1  0.20190343  0.71219349  0.72320388  1
  H  H34  1  0.85560141  0.37398637  0.12537528  1
  H  H35  1  0.14440815  0.62600946  0.87461971  1
  H  H36  1  0.60238346  0.41043250  0.03549335  1
  H  H37  1  0.39761819  0.58956247  0.96450649  1
  Pd  Pd38  1  0.00970115  0.25633914  0.46065810  1
  Pd  Pd39  1  0.99029707  0.74366212  0.53933500  1
  C  C40  1  0.52611781  0.55359117  0.29832653  1
  C  C41  1  0.47387999  0.44640770  0.70167200  1
  C  C42  1  0.52811787  0.60802616  0.21848410  1
  C  C43  1  0.47187706  0.39197247  0.78151444  1
  C  C44  1  0.51720260  0.70885489  0.22129830  1
  C  C45  1  0.48279287  0.29114393  0.77869982  1
  C  C46  1  0.50871862  0.74875140  0.30741389  1
  C  C47  1  0.49128530  0.25124785  0.69258367  1
  C  C48  1  0.50959759  0.68916930  0.38366756  1
  C  C49  1  0.49040716  0.31082974  0.61633035  1
  C  C50  1  0.51258567  0.76635555  0.14223710  1
  C  C51  1  0.48740415  0.23364342  0.85776106  1
  C  C52  1  0.50644011  0.81593918  0.07132801  1
  C  C53  1  0.49354901  0.18406093  0.92867094  1
  C  C54  1  0.17600743  0.64212020  0.55263257  1
  C  C55  1  0.82399090  0.35788131  0.44736273  1
  C  C56  1  0.19495941  0.15800213  0.48691709  1
  C  C57  1  0.80503840  0.84199974  0.51307786  1
  C  C58  1  0.81453147  0.15727375  0.47527090  1
  C  C59  1  0.18546573  0.84272824  0.52472442  1
  C  C60  1  0.20067659  0.35730152  0.45225196  1
  C  C61  1  0.79932083  0.64269950  0.54774394  1
  C  C62  1  0.64977366  0.99077702  0.68390765  1
  C  C63  1  0.35022462  0.00922508  0.31609311  1
  C  C64  1  0.65456395  0.96540042  0.77428741  1
  C  C65  1  0.34543121  0.03460135  0.22571380  1
  C  C66  1  0.49120893  0.94610896  0.83055703  1
  C  C67  1  0.50878449  0.05389457  0.16944377  1
  C  C68  1  0.32950822  0.96151526  0.79128891  1
  C  C69  1  0.67048763  0.03848950  0.20871066  1
  C  C70  1  0.33782919  0.98693175  0.70008519  1
  C  C71  1  0.66216965  0.01307329  0.29991373  1
  C  C72  1  0.49007024  0.91029910  0.91993881  1
  C  C73  1  0.50991689  0.08970348  0.08006190  1
  C  C74  1  0.49789399  0.86695507  0.99390627  1
  C  C75  1  0.50209481  0.13304807  0.00609434  1
  C  C76  1  0.02179285  0.73559243  0.21079760  1
  C  C77  1  0.97820226  0.26440516  0.78920218  1
  C  C78  1  0.02108303  0.68202524  0.13336146  1
  C  C79  1  0.97891710  0.31797183  0.86663822  1
  C  C80  1  0.02711195  0.58280169  0.14242499  1
  C  C81  1  0.97289236  0.41719530  0.85757492  1
  C  C82  1  0.03388762  0.53682721  0.22757866  1
  C  C83  1  0.96611652  0.46317028  0.77242147  1
  C  C84  1  0.03289593  0.59088411  0.30438565  1
  C  C85  1  0.96710580  0.40911360  0.69561426  1
  C  C86  1  0.02757029  0.69005829  0.29633193  1
  C  C87  1  0.97242711  0.30993900  0.70366790  1
  C  C88  1  0.40617416  0.33835348  0.13301511  1
  C  C89  1  0.59383219  0.66164619  0.86699067  1
  C  C90  1  0.37287214  0.28825866  0.21740927  1
  C  C91  1  0.62713914  0.71174348  0.78259809  1
  C  C92  1  0.51361686  0.27174590  0.26902031  1
  C  C93  1  0.48639912  0.72825736  0.73098413  1
  C  C94  1  0.68770241  0.30228106  0.23635879  1
  C  C95  1  0.31231248  0.69771983  0.76364104  1
  C  C96  1  0.71974799  0.35159329  0.15197397  1
  C  C97  1  0.28026215  0.64840438  0.84802441  1
  C  C98  1  0.57978233  0.37134024  0.10065565  1
  C  C99  1  0.42022340  0.62865717  0.89934546  1
  N  N100  1  0.51562344  0.59192893  0.38090939  1
  N  N101  1  0.48437594  0.40807032  0.61908848  1
  N  N102  1  0.28951664  0.58360250  0.55424118  1
  N  N103  1  0.71047907  0.41639787  0.44575618  1
  N  N104  1  0.30770072  0.10187846  0.49959491  1
  N  N105  1  0.69229763  0.89812442  0.50040167  1
  N  N106  1  0.69655192  0.10144113  0.48556262  1
  N  N107  1  0.30344549  0.89856073  0.51443321  1
  N  N108  1  0.49487259  0.99772383  0.64485259  1
  N  N109  1  0.50512757  0.00228049  0.35514770  1
  N  N110  1  0.31381695  0.41487455  0.45454149  1
  N  N111  1  0.68618121  0.58512623  0.54545553  1
  N  N112  1  0.01613769  0.83883717  0.20348246  1
  N  N113  1  0.98385340  0.16116044  0.79651810  1
  N  N114  1  0.26312312  0.35442984  0.07872602  1
  N  N115  1  0.73687885  0.64556922  0.92128294  1
  O  O116  1  0.01538008  0.88285121  0.27489242  1
  O  O117  1  0.98460510  0.11714604  0.72510870  1
  O  O118  1  0.01253477  0.87849479  0.12742300  1
  O  O119  1  0.98746062  0.12150296  0.87257745  1
  O  O120  1  0.12073143  0.30764660  0.09912244  1
  O  O121  1  0.87927190  0.69235255  0.90088986  1
  O  O122  1  0.28697999  0.41401890  0.01285181  1
  O  O123  1  0.71301761  0.58597914  0.98715596  1
