# generated using pymatgen
data_FeNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48404538
_cell_length_b   13.97870152
_cell_length_c   14.88280636
_cell_angle_alpha   87.36770910
_cell_angle_beta   83.15909883
_cell_angle_gamma   89.60497211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH36Pd2C60(N2O)8
_chemical_formula_sum   'Fe1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.28061532
_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
  Fe  Fe0  1  0.49999950  0.49999946  0.49999828  1
  Ni  Ni1  1  0.49999818  0.00000132  0.49999834  1
  H  H2  1  0.53193373  0.47642438  0.29593084  1
  H  H3  1  0.46806420  0.52357498  0.70406804  1
  H  H4  1  0.53851831  0.57397817  0.15407795  1
  H  H5  1  0.46147253  0.42602064  0.84592070  1
  H  H6  1  0.50292850  0.82599715  0.31438674  1
  H  H7  1  0.49708050  0.17400203  0.68561098  1
  H  H8  1  0.50411741  0.72134945  0.44884037  1
  H  H9  1  0.49589155  0.27864975  0.55115728  1
  H  H10  1  0.77568644  0.00466418  0.64108246  1
  H  H11  1  0.22431618  0.99533511  0.35892169  1
  H  H12  1  0.78250022  0.96148229  0.80185138  1
  H  H13  1  0.21749422  0.03851624  0.19815062  1
  H  H14  1  0.19995110  0.95428975  0.83209097  1
  H  H15  1  0.80004468  0.04571554  0.16790800  1
  H  H16  1  0.21366366  0.99796233  0.67023504  1
  H  H17  1  0.78633444  0.00204363  0.32976506  1
  H  H18  1  0.01489631  0.71808591  0.06783131  1
  H  H19  1  0.98510528  0.28191076  0.93216833  1
  H  H20  1  0.02699532  0.54089962  0.08278087  1
  H  H21  1  0.97300980  0.45909729  0.91721911  1
  H  H22  1  0.04007709  0.45889863  0.23449392  1
  H  H23  1  0.95992530  0.54109855  0.76550628  1
  H  H24  1  0.03621910  0.55516908  0.37101834  1
  H  H25  1  0.96378320  0.44482830  0.62898167  1
  H  H26  1  0.02835454  0.73306399  0.35546030  1
  H  H27  1  0.97164376  0.26693309  0.64454002  1
  H  H28  1  0.23780741  0.26289753  0.24130326  1
  H  H29  1  0.76220457  0.73710692  0.75870776  1
  H  H30  1  0.48783182  0.23423331  0.33536690  1
  H  H31  1  0.51218800  0.76577273  0.66463923  1
  H  H32  1  0.79807149  0.28803702  0.27712183  1
  H  H33  1  0.20194711  0.71196531  0.72287624  1
  H  H34  1  0.85548636  0.37411629  0.12564281  1
  H  H35  1  0.14452307  0.62587933  0.87435215  1
  H  H36  1  0.60236181  0.41030900  0.03569247  1
  H  H37  1  0.39764006  0.58968590  0.96430726  1
  Pd  Pd38  1  0.00933556  0.25925214  0.45932675  1
  Pd  Pd39  1  0.99066228  0.74074934  0.54066573  1
  C  C40  1  0.52622663  0.55403462  0.29814161  1
  C  C41  1  0.47377155  0.44596467  0.70185640  1
  C  C42  1  0.52811662  0.60852170  0.21823350  1
  C  C43  1  0.47187843  0.39147741  0.78176472  1
  C  C44  1  0.51730420  0.70930676  0.22123875  1
  C  C45  1  0.48269206  0.29069233  0.77875925  1
  C  C46  1  0.50872472  0.74908225  0.30741183  1
  C  C47  1  0.49127953  0.25091682  0.69258593  1
  C  C48  1  0.50975582  0.68890752  0.38345585  1
  C  C49  1  0.49024932  0.31109161  0.61654194  1
  C  C50  1  0.51251093  0.76669338  0.14216730  1
  C  C51  1  0.48747822  0.23330531  0.85783040  1
  C  C52  1  0.50635941  0.81613371  0.07121921  1
  C  C53  1  0.49362956  0.18386601  0.92877994  1
  C  C54  1  0.17936941  0.63966601  0.55267156  1
  C  C55  1  0.82062817  0.36033594  0.44732422  1
  C  C56  1  0.19294039  0.16005697  0.48736576  1
  C  C57  1  0.80705667  0.83994532  0.51262950  1
  C  C58  1  0.81492987  0.15903183  0.47513681  1
  C  C59  1  0.18506744  0.84097011  0.52485823  1
  C  C60  1  0.20235217  0.35961541  0.45147268  1
  C  C61  1  0.79764650  0.64038555  0.54852318  1
  C  C62  1  0.64943440  0.99083780  0.68379993  1
  C  C63  1  0.35056350  0.00916417  0.31620150  1
  C  C64  1  0.65466912  0.96529461  0.77431833  1
  C  C65  1  0.34532638  0.03470714  0.22568328  1
  C  C66  1  0.49124396  0.94620848  0.83035340  1
  C  C67  1  0.50874985  0.05379510  0.16964764  1
  C  C68  1  0.32956257  0.96143664  0.79111493  1
  C  C69  1  0.67043338  0.03856826  0.20888467  1
  C  C70  1  0.33867205  0.98705165  0.69979687  1
  C  C71  1  0.66132655  0.01295374  0.30020260  1
  C  C72  1  0.49018749  0.91032461  0.91976293  1
  C  C73  1  0.50979954  0.08967838  0.08023773  1
  C  C74  1  0.49779567  0.86703189  0.99375670  1
  C  C75  1  0.50219283  0.13297068  0.00624359  1
  C  C76  1  0.02188274  0.73558668  0.21103877  1
  C  C77  1  0.97811267  0.26441045  0.78896158  1
  C  C78  1  0.02121877  0.68192738  0.13362135  1
  C  C79  1  0.97878184  0.31806961  0.86637874  1
  C  C80  1  0.02706819  0.58273428  0.14268015  1
  C  C81  1  0.97293607  0.41726289  0.85731967  1
  C  C82  1  0.03370028  0.53675092  0.22783048  1
  C  C83  1  0.96630370  0.46324622  0.77216927  1
  C  C84  1  0.03282676  0.59080107  0.30460271  1
  C  C85  1  0.96717501  0.40919621  0.69539708  1
  C  C86  1  0.02749269  0.68996590  0.29658422  1
  C  C87  1  0.97250514  0.31003132  0.70341601  1
  C  C88  1  0.40607257  0.33830001  0.13320943  1
  C  C89  1  0.59393372  0.66169986  0.86679657  1
  C  C90  1  0.37294097  0.28823148  0.21769712  1
  C  C91  1  0.62707084  0.71177106  0.78231030  1
  C  C92  1  0.51368849  0.27175955  0.26927998  1
  C  C93  1  0.48632725  0.72824374  0.73072453  1
  C  C94  1  0.68774187  0.30234482  0.23659589  1
  C  C95  1  0.31227325  0.69765620  0.76340417  1
  C  C96  1  0.71969972  0.35165007  0.15220577  1
  C  C97  1  0.28031013  0.64834768  0.84779260  1
  C  C98  1  0.57976604  0.37130130  0.10088771  1
  C  C99  1  0.42023989  0.62869645  0.89911343  1
  N  N100  1  0.51604347  0.59214929  0.38044123  1
  N  N101  1  0.48395715  0.40784983  0.61955686  1
  N  N102  1  0.29572602  0.58272209  0.55116530  1
  N  N103  1  0.70426892  0.41727823  0.44883178  1
  N  N104  1  0.30472907  0.10328872  0.49951335  1
  N  N105  1  0.69526693  0.89671355  0.50048391  1
  N  N106  1  0.69813381  0.10255840  0.48560674  1
  N  N107  1  0.30186214  0.89744470  0.51438854  1
  N  N108  1  0.49521379  0.99845779  0.64507980  1
  N  N109  1  0.50478573  0.00154630  0.35491955  1
  N  N110  1  0.31756256  0.41545949  0.45508975  1
  N  N111  1  0.68243682  0.58454033  0.54490727  1
  N  N112  1  0.01628287  0.83872304  0.20352381  1
  N  N113  1  0.98370755  0.16127429  0.79647703  1
  N  N114  1  0.26325285  0.35429791  0.07887804  1
  N  N115  1  0.73674878  0.64570128  0.92113088  1
  O  O116  1  0.01554214  0.88294982  0.27479702  1
  O  O117  1  0.98444088  0.11704741  0.72520422  1
  O  O118  1  0.01266420  0.87822679  0.12735746  1
  O  O119  1  0.98733228  0.12177059  0.87264293  1
  O  O120  1  0.12104382  0.30723849  0.09899976  1
  O  O121  1  0.87895925  0.69276030  0.90101213  1
  O  O122  1  0.28697973  0.41407277  0.01316554  1
  O  O123  1  0.71301722  0.58592533  0.98684224  1
