# generated using pymatgen
data_CrFeH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48374776
_cell_length_b   13.97844452
_cell_length_c   14.88286544
_cell_angle_alpha   87.36601295
_cell_angle_beta   83.16010344
_cell_angle_gamma   89.60420519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH36Pd2C60(N2O)8
_chemical_formula_sum   'Cr1 Fe1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.19806476
_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  0.49999985  0.49999968  0.49999845  1
  Cr  Cr1  1  0.49999876  0.00000168  0.49999810  1
  H  H2  1  0.53201042  0.47626133  0.29583492  1
  H  H3  1  0.46798759  0.52373808  0.70416399  1
  H  H4  1  0.53854524  0.57383351  0.15393852  1
  H  H5  1  0.46144564  0.42616481  0.84606013  1
  H  H6  1  0.50296080  0.82586544  0.31411415  1
  H  H7  1  0.49704801  0.17413393  0.68588354  1
  H  H8  1  0.50402058  0.72076111  0.44886303  1
  H  H9  1  0.49598872  0.27923785  0.55113466  1
  H  H10  1  0.77728929  0.00499426  0.64169690  1
  H  H11  1  0.22271013  0.99500577  0.35830538  1
  H  H12  1  0.78250327  0.96166317  0.80157874  1
  H  H13  1  0.21749109  0.03833522  0.19842332  1
  H  H14  1  0.19986650  0.95440948  0.83198256  1
  H  H15  1  0.80012880  0.04559581  0.16801714  1
  H  H16  1  0.21166252  0.99805481  0.67093095  1
  H  H17  1  0.78833411  0.00195081  0.32906959  1
  H  H18  1  0.01488317  0.71808857  0.06782146  1
  H  H19  1  0.98511837  0.28190816  0.93217830  1
  H  H20  1  0.02699753  0.54090368  0.08276519  1
  H  H21  1  0.97300710  0.45909322  0.91723471  1
  H  H22  1  0.04009219  0.45887621  0.23446531  1
  H  H23  1  0.95991019  0.54112096  0.76553483  1
  H  H24  1  0.03620916  0.55513491  0.37101780  1
  H  H25  1  0.96379317  0.44486243  0.62898209  1
  H  H26  1  0.02841385  0.73301934  0.35545712  1
  H  H27  1  0.97158461  0.26697777  0.64454325  1
  H  H28  1  0.23785018  0.26300500  0.24125469  1
  H  H29  1  0.76216156  0.73699951  0.75875630  1
  H  H30  1  0.48778097  0.23464087  0.33534620  1
  H  H31  1  0.51223886  0.76536535  0.66465999  1
  H  H32  1  0.79809973  0.28820031  0.27703982  1
  H  H33  1  0.20191888  0.71180205  0.72295822  1
  H  H34  1  0.85556626  0.37417986  0.12551198  1
  H  H35  1  0.14444334  0.62581582  0.87448292  1
  H  H36  1  0.60238673  0.41038116  0.03556656  1
  H  H37  1  0.39761515  0.58961384  0.96443308  1
  Pd  Pd38  1  0.00920520  0.25806299  0.46031086  1
  Pd  Pd39  1  0.99079241  0.74193870  0.53968272  1
  C  C40  1  0.52625151  0.55386433  0.29798425  1
  C  C41  1  0.47374665  0.44613472  0.70201410  1
  C  C42  1  0.52812882  0.60836925  0.21809802  1
  C  C43  1  0.47186630  0.39162964  0.78190027  1
  C  C44  1  0.51730001  0.70917127  0.22109666  1
  C  C45  1  0.48269607  0.29082769  0.77890139  1
  C  C46  1  0.50875156  0.74891032  0.30725101  1
  C  C47  1  0.49125273  0.25108881  0.69274664  1
  C  C48  1  0.50974333  0.68868705  0.38328679  1
  C  C49  1  0.49026219  0.31131246  0.61671092  1
  C  C50  1  0.51255921  0.76667832  0.14207862  1
  C  C51  1  0.48743013  0.23332083  0.85791953  1
  C  C52  1  0.50635880  0.81611277  0.07113165  1
  C  C53  1  0.49362978  0.18388692  0.92886738  1
  C  C54  1  0.17823016  0.64029411  0.55239906  1
  C  C55  1  0.82176828  0.35970801  0.44759663  1
  C  C56  1  0.19469033  0.15944790  0.48699361  1
  C  C57  1  0.80530698  0.84055459  0.51300140  1
  C  C58  1  0.81375788  0.15861218  0.47516858  1
  C  C59  1  0.18623982  0.84138989  0.52482687  1
  C  C60  1  0.20123882  0.35896236  0.45172657  1
  C  C61  1  0.79875933  0.64103875  0.54826917  1
  C  C62  1  0.65007437  0.99083719  0.68373053  1
  C  C63  1  0.34992331  0.00916446  0.31627055  1
  C  C64  1  0.65472193  0.96538200  0.77404932  1
  C  C65  1  0.34527335  0.03461961  0.22595210  1
  C  C66  1  0.49130125  0.94614812  0.83031345  1
  C  C67  1  0.50869265  0.05385586  0.16968742  1
  C  C68  1  0.32950632  0.96146293  0.79104531  1
  C  C69  1  0.67048924  0.03854203  0.20895474  1
  C  C70  1  0.33749188  0.98691460  0.69991819  1
  C  C71  1  0.66250574  0.01309025  0.30008131  1
  C  C72  1  0.48998106  0.91037666  0.91966284  1
  C  C73  1  0.51000743  0.08962624  0.08033784  1
  C  C74  1  0.49785158  0.86698404  0.99367118  1
  C  C75  1  0.50213741  0.13301884  0.00632904  1
  C  C76  1  0.02188745  0.73558940  0.21103680  1
  C  C77  1  0.97810788  0.26440778  0.78896359  1
  C  C78  1  0.02121178  0.68192352  0.13361130  1
  C  C79  1  0.97878861  0.31807363  0.86638879  1
  C  C80  1  0.02706625  0.58272781  0.14266799  1
  C  C81  1  0.97293786  0.41726938  0.85733177  1
  C  C82  1  0.03369820  0.53672887  0.22781702  1
  C  C83  1  0.96630575  0.46326838  0.77218269  1
  C  C84  1  0.03282633  0.59076139  0.30459800  1
  C  C85  1  0.96717542  0.40923591  0.69540178  1
  C  C86  1  0.02751572  0.68993003  0.29657717  1
  C  C87  1  0.97248207  0.31006715  0.70342294  1
  C  C88  1  0.40611201  0.33836440  0.13309869  1
  C  C89  1  0.59389448  0.66163561  0.86690711  1
  C  C90  1  0.37297272  0.28832384  0.21759260  1
  C  C91  1  0.62703878  0.71167869  0.78241483  1
  C  C92  1  0.51373484  0.27195062  0.26917152  1
  C  C93  1  0.48628110  0.72805268  0.73083312  1
  C  C94  1  0.68782445  0.30248282  0.23647209  1
  C  C95  1  0.31219041  0.69751808  0.76352799  1
  C  C96  1  0.71977036  0.35172604  0.15206271  1
  C  C97  1  0.28023972  0.64827174  0.84793571  1
  C  C98  1  0.57980647  0.37136854  0.10075728  1
  C  C99  1  0.42019943  0.62862917  0.89924396  1
  N  N100  1  0.51606999  0.59190602  0.38036696  1
  N  N101  1  0.48393070  0.40809325  0.61963111  1
  N  N102  1  0.29428769  0.58315224  0.55112193  1
  N  N103  1  0.70570713  0.41684806  0.44887506  1
  N  N104  1  0.30671828  0.10282928  0.49960417  1
  N  N105  1  0.69327900  0.89717365  0.50039243  1
  N  N106  1  0.69683937  0.10208297  0.48542381  1
  N  N107  1  0.30315885  0.89791867  0.51457180  1
  N  N108  1  0.49482511  0.99835808  0.64454044  1
  N  N109  1  0.50517307  0.00164550  0.35545942  1
  N  N110  1  0.31621917  0.41501587  0.45512513  1
  N  N111  1  0.68378064  0.58498365  0.54487147  1
  N  N112  1  0.01628025  0.83873609  0.20356511  1
  N  N113  1  0.98371060  0.16126106  0.79643565  1
  N  N114  1  0.26322585  0.35431669  0.07881928  1
  N  N115  1  0.73677580  0.64568232  0.92118978  1
  O  O116  1  0.01565733  0.88296709  0.27488185  1
  O  O117  1  0.98432665  0.11703019  0.72511931  1
  O  O118  1  0.01257406  0.87831164  0.12743889  1
  O  O119  1  0.98742203  0.12168554  0.87256150  1
  O  O120  1  0.12105086  0.30723269  0.09899827  1
  O  O121  1  0.87895223  0.69276611  0.90101371  1
  O  O122  1  0.28685698  0.41408367  0.01309122  1
  O  O123  1  0.71314016  0.58591458  0.98691642  1
