# generated using pymatgen
data_CrNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48489314
_cell_length_b   13.97992764
_cell_length_c   14.88276304
_cell_angle_alpha   87.37640020
_cell_angle_beta   83.15522895
_cell_angle_gamma   89.60616264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH36Pd2C60(N2O)8
_chemical_formula_sum   'Cr1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.58476590
_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
  Ni  Ni0  1  0.49999869  0.49999942  0.49999866  1
  Cr  Cr1  1  0.49999842  0.00000226  0.49999765  1
  H  H2  1  0.53251743  0.47680332  0.29782535  1
  H  H3  1  0.46748171  0.52319576  0.70217260  1
  H  H4  1  0.53796650  0.57442691  0.15388071  1
  H  H5  1  0.46202398  0.42557179  0.84611733  1
  H  H6  1  0.50261871  0.82586975  0.31359563  1
  H  H7  1  0.49739045  0.17412969  0.68640088  1
  H  H8  1  0.50326300  0.71884692  0.44945226  1
  H  H9  1  0.49674695  0.28115248  0.55054539  1
  H  H10  1  0.77645384  0.00397837  0.64052368  1
  H  H11  1  0.22354581  0.99602284  0.35947967  1
  H  H12  1  0.78225859  0.96084816  0.80222124  1
  H  H13  1  0.21773616  0.03914936  0.19778045  1
  H  H14  1  0.20068055  0.95378874  0.83232222  1
  H  H15  1  0.79931298  0.04621634  0.16767707  1
  H  H16  1  0.21412608  0.99686548  0.66937133  1
  H  H17  1  0.78587272  0.00314169  0.33062853  1
  H  H18  1  0.01571448  0.71802264  0.06851868  1
  H  H19  1  0.98428730  0.28197357  0.93148100  1
  H  H20  1  0.02609795  0.54056327  0.08357504  1
  H  H21  1  0.97390729  0.45943414  0.91642472  1
  H  H22  1  0.03755132  0.45858541  0.23541345  1
  H  H23  1  0.96245152  0.54141156  0.76458652  1
  H  H24  1  0.03585403  0.55475997  0.37156222  1
  H  H25  1  0.96414845  0.44523683  0.62843782  1
  H  H26  1  0.02730445  0.73289343  0.35611761  1
  H  H27  1  0.97269352  0.26710312  0.64388305  1
  H  H28  1  0.23798292  0.26368534  0.24219325  1
  H  H29  1  0.76202891  0.73631872  0.75781668  1
  H  H30  1  0.48900403  0.23522083  0.33615656  1
  H  H31  1  0.51101553  0.76478454  0.66384904  1
  H  H32  1  0.79862679  0.28867174  0.27751756  1
  H  H33  1  0.20139018  0.71133040  0.72248155  1
  H  H34  1  0.85529672  0.37516395  0.12659161  1
  H  H35  1  0.14471375  0.62483061  0.87340290  1
  H  H36  1  0.60207299  0.41014819  0.03599435  1
  H  H37  1  0.39792966  0.58984644  0.96400500  1
  Pd  Pd38  1  0.00922051  0.25771019  0.45953973  1
  Pd  Pd39  1  0.99077832  0.74229070  0.54045243  1
  C  C40  1  0.52642582  0.55440192  0.29855226  1
  C  C41  1  0.47357192  0.44559695  0.70144588  1
  C  C42  1  0.52810857  0.60854196  0.21820850  1
  C  C43  1  0.47188566  0.39145671  0.78178990  1
  C  C44  1  0.51756457  0.70916716  0.22112245  1
  C  C45  1  0.48243368  0.29083153  0.77887544  1
  C  C46  1  0.50896961  0.74895515  0.30703763  1
  C  C47  1  0.49103479  0.25104390  0.69296008  1
  C  C48  1  0.50951508  0.68856338  0.38317609  1
  C  C49  1  0.49049017  0.31143601  0.61682173  1
  C  C50  1  0.51243265  0.76677826  0.14212582  1
  C  C51  1  0.48755939  0.23321932  0.85787304  1
  C  C52  1  0.50575188  0.81617012  0.07135973  1
  C  C53  1  0.49423361  0.18382928  0.92863951  1
  C  C54  1  0.17597916  0.64019962  0.55576953  1
  C  C55  1  0.82401571  0.35979887  0.44422422  1
  C  C56  1  0.19466916  0.15952719  0.48708733  1
  C  C57  1  0.80533041  0.84047526  0.51290639  1
  C  C58  1  0.81344923  0.15863115  0.47521786  1
  C  C59  1  0.18654847  0.84137103  0.52477551  1
  C  C60  1  0.20049809  0.35900682  0.44894484  1
  C  C61  1  0.79950062  0.64099411  0.55105045  1
  C  C62  1  0.65086270  0.99039627  0.68398381  1
  C  C63  1  0.34913442  0.00960544  0.31601797  1
  C  C64  1  0.65491156  0.96573825  0.77448157  1
  C  C65  1  0.34508339  0.03426296  0.22552070  1
  C  C66  1  0.49144650  0.94668529  0.83055202  1
  C  C67  1  0.50854668  0.05332009  0.16945020  1
  C  C68  1  0.32986593  0.96191862  0.79125377  1
  C  C69  1  0.67012942  0.03808742  0.20874708  1
  C  C70  1  0.33809406  0.98644187  0.69999886  1
  C  C71  1  0.66190435  0.01356370  0.30000135  1
  C  C72  1  0.49070675  0.90979408  0.91953820  1
  C  C73  1  0.50928816  0.09021178  0.08046406  1
  C  C74  1  0.49765355  0.86639765  0.99348097  1
  C  C75  1  0.50233232  0.13360248  0.00651962  1
  C  C76  1  0.02226339  0.73533648  0.21163801  1
  C  C77  1  0.97773501  0.26466044  0.78836222  1
  C  C78  1  0.02184811  0.68167528  0.13422789  1
  C  C79  1  0.97815474  0.31832162  0.86577212  1
  C  C80  1  0.02708305  0.58247986  0.14335019  1
  C  C81  1  0.97292031  0.41751711  0.85664987  1
  C  C82  1  0.03317379  0.53645734  0.22852720  1
  C  C83  1  0.96682791  0.46353950  0.77147299  1
  C  C84  1  0.03265183  0.59054820  0.30522088  1
  C  C85  1  0.96734958  0.40944865  0.69477923  1
  C  C86  1  0.02734905  0.68970884  0.29724529  1
  C  C87  1  0.97265088  0.31028801  0.70275477  1
  C  C88  1  0.40634239  0.33829033  0.13372589  1
  C  C89  1  0.59366416  0.66171086  0.86628055  1
  C  C90  1  0.37331492  0.28855757  0.21836450  1
  C  C91  1  0.62669647  0.71144644  0.78164346  1
  C  C92  1  0.51424296  0.27224424  0.26982295  1
  C  C93  1  0.48577243  0.72776036  0.73018226  1
  C  C94  1  0.68815605  0.30280235  0.23708137  1
  C  C95  1  0.31185873  0.69719987  0.76291935  1
  C  C96  1  0.71970701  0.35232776  0.15282837  1
  C  C97  1  0.28030347  0.64767076  0.84717037  1
  C  C98  1  0.57986481  0.37146429  0.10134899  1
  C  C99  1  0.42014108  0.62853421  0.89865259  1
  N  N100  1  0.51592747  0.59240589  0.38040617  1
  N  N101  1  0.48407285  0.40759335  0.61959184  1
  N  N102  1  0.29088054  0.58269112  0.55607729  1
  N  N103  1  0.70911391  0.41730777  0.44391988  1
  N  N104  1  0.30583664  0.10298403  0.50129463  1
  N  N105  1  0.69416374  0.89701945  0.49870030  1
  N  N106  1  0.69698610  0.10186604  0.48545072  1
  N  N107  1  0.30300789  0.89813833  0.51454437  1
  N  N108  1  0.49571307  0.99761648  0.64486580  1
  N  N109  1  0.50428615  0.00238764  0.35513499  1
  N  N110  1  0.31490484  0.41542510  0.45129211  1
  N  N111  1  0.68509466  0.58457468  0.54870578  1
  N  N112  1  0.01679117  0.83856433  0.20377847  1
  N  N113  1  0.98319941  0.16143261  0.79622206  1
  N  N114  1  0.26343342  0.35377560  0.07925570  1
  N  N115  1  0.73656790  0.64622355  0.92075359  1
  O  O116  1  0.01632164  0.88315292  0.27480887  1
  O  O117  1  0.98365471  0.11684419  0.72519220  1
  O  O118  1  0.01286953  0.87784666  0.12754192  1
  O  O119  1  0.98712810  0.12215007  0.87245802  1
  O  O120  1  0.12253476  0.30545457  0.09854144  1
  O  O121  1  0.87746976  0.69454267  0.90147055  1
  O  O122  1  0.28576351  0.41445065  0.01431879  1
  O  O123  1  0.71423093  0.58554816  0.98568992  1
