# generated using pymatgen
data_CrFeH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48474913
_cell_length_b   13.97970414
_cell_length_c   14.88286934
_cell_angle_alpha   87.37599417
_cell_angle_beta   83.15521741
_cell_angle_gamma   89.60595971
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH36Pd2C60(N2O)8
_chemical_formula_sum   'Cr1 Fe1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.54084309
_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
  Cr  Cr0  1  0.49999857  0.49999977  0.49999877  1
  Fe  Fe1  1  0.49999831  0.00000258  0.49999728  1
  H  H2  1  0.53267017  0.47633869  0.29710844  1
  H  H3  1  0.46732904  0.52366042  0.70288947  1
  H  H4  1  0.53796611  0.57432950  0.15389199  1
  H  H5  1  0.46202437  0.42566908  0.84610627  1
  H  H6  1  0.50262296  0.82584712  0.31353226  1
  H  H7  1  0.49738625  0.17415231  0.68646418  1
  H  H8  1  0.50327463  0.71957459  0.44966654  1
  H  H9  1  0.49673513  0.28042516  0.55033114  1
  H  H10  1  0.77621788  0.00390139  0.64054926  1
  H  H11  1  0.22378138  0.99609997  0.35945408  1
  H  H12  1  0.78245548  0.96081193  0.80228623  1
  H  H13  1  0.21753944  0.03918558  0.19771547  1
  H  H14  1  0.20052427  0.95376204  0.83237750  1
  H  H15  1  0.79946939  0.04624318  0.16762162  1
  H  H16  1  0.21451464  0.99685503  0.66929712  1
  H  H17  1  0.78548482  0.00315226  0.33070244  1
  H  H18  1  0.01573638  0.71805913  0.06848015  1
  H  H19  1  0.98426541  0.28193713  0.93151953  1
  H  H20  1  0.02607394  0.54055292  0.08355743  1
  H  H21  1  0.97393142  0.45944454  0.91644241  1
  H  H22  1  0.03756411  0.45861031  0.23533984  1
  H  H23  1  0.96243874  0.54138665  0.76466013  1
  H  H24  1  0.03589387  0.55485484  0.37145701  1
  H  H25  1  0.96410857  0.44514194  0.62854305  1
  H  H26  1  0.02729042  0.73298089  0.35604529  1
  H  H27  1  0.97270752  0.26701568  0.64395531  1
  H  H28  1  0.23802166  0.26363020  0.24220110  1
  H  H29  1  0.76199055  0.73637379  0.75780886  1
  H  H30  1  0.48907755  0.23499989  0.33604219  1
  H  H31  1  0.51094205  0.76500530  0.66396342  1
  H  H32  1  0.79871357  0.28855969  0.27747940  1
  H  H33  1  0.20130388  0.71144189  0.72251914  1
  H  H34  1  0.85527804  0.37515939  0.12663045  1
  H  H35  1  0.14473224  0.62483513  0.87336406  1
  H  H36  1  0.60205235  0.41014433  0.03600356  1
  H  H37  1  0.39795029  0.58985028  0.96399580  1
  Pd  Pd38  1  0.00904914  0.25862838  0.45940773  1
  Pd  Pd39  1  0.99094947  0.74137230  0.54058436  1
  C  C40  1  0.52650765  0.55401531  0.29819466  1
  C  C41  1  0.47349009  0.44598362  0.70180358  1
  C  C42  1  0.52812533  0.60842022  0.21822090  1
  C  C43  1  0.47186889  0.39157844  0.78177751  1
  C  C44  1  0.51753979  0.70915273  0.22112986  1
  C  C45  1  0.48245852  0.29084597  0.77886799  1
  C  C46  1  0.50897877  0.74891546  0.30720680  1
  C  C47  1  0.49102560  0.25108351  0.69279098  1
  C  C48  1  0.50950018  0.68911554  0.38340011  1
  C  C49  1  0.49050503  0.31088375  0.61659781  1
  C  C50  1  0.51242136  0.76675382  0.14221652  1
  C  C51  1  0.48757081  0.23324398  0.85778237  1
  C  C52  1  0.50572774  0.81615386  0.07138391  1
  C  C53  1  0.49425768  0.18384560  0.92861544  1
  C  C54  1  0.17788618  0.64005983  0.55523757  1
  C  C55  1  0.82210913  0.35993929  0.44475690  1
  C  C56  1  0.19388727  0.15951734  0.48683218  1
  C  C57  1  0.80611259  0.84048492  0.51316083  1
  C  C58  1  0.81421689  0.15866044  0.47515746  1
  C  C59  1  0.18578013  0.84134173  0.52483572  1
  C  C60  1  0.20188514  0.35908793  0.44944693  1
  C  C61  1  0.79811300  0.64091272  0.55054831  1
  C  C62  1  0.65069569  0.99040155  0.68406972  1
  C  C63  1  0.34930189  0.00960011  0.31593233  1
  C  C64  1  0.65500433  0.96574678  0.77462426  1
  C  C65  1  0.34499038  0.03425454  0.22537817  1
  C  C66  1  0.49149170  0.94670882  0.83058370  1
  C  C67  1  0.50850182  0.05329650  0.16941879  1
  C  C68  1  0.32980980  0.96192949  0.79140002  1
  C  C69  1  0.67018569  0.03807659  0.20860090  1
  C  C70  1  0.33837962  0.98646779  0.70005379  1
  C  C71  1  0.66161881  0.01353781  0.29994664  1
  C  C72  1  0.49073773  0.90971609  0.91955034  1
  C  C73  1  0.50925633  0.09028983  0.08045203  1
  C  C74  1  0.49764561  0.86636482  0.99348520  1
  C  C75  1  0.50234038  0.13363529  0.00651531  1
  C  C76  1  0.02226458  0.73536040  0.21158062  1
  C  C77  1  0.97773389  0.26463646  0.78841963  1
  C  C78  1  0.02184941  0.68168078  0.13416729  1
  C  C79  1  0.97815350  0.31831608  0.86583272  1
  C  C80  1  0.02708464  0.58249280  0.14328435  1
  C  C81  1  0.97291869  0.41750407  0.85671567  1
  C  C82  1  0.03321429  0.53649259  0.22844196  1
  C  C83  1  0.96678731  0.46350425  0.77155823  1
  C  C84  1  0.03268934  0.59060408  0.30513171  1
  C  C85  1  0.96731204  0.40939272  0.69486839  1
  C  C86  1  0.02738170  0.68975993  0.29719933  1
  C  C87  1  0.97261829  0.31023699  0.70280080  1
  C  C88  1  0.40637076  0.33828128  0.13373075  1
  C  C89  1  0.59363590  0.66171999  0.86627553  1
  C  C90  1  0.37333188  0.28850982  0.21835456  1
  C  C91  1  0.62667940  0.71149421  0.78165329  1
  C  C92  1  0.51425862  0.27215933  0.26979737  1
  C  C93  1  0.48575679  0.72784507  0.73020784  1
  C  C94  1  0.68815249  0.30278105  0.23707641  1
  C  C95  1  0.31186221  0.69722118  0.76292433  1
  C  C96  1  0.71971738  0.35233663  0.15284199  1
  C  C97  1  0.28029295  0.64766185  0.84715681  1
  C  C98  1  0.57990027  0.37148409  0.10136444  1
  C  C99  1  0.42010547  0.62851446  0.89863703  1
  N  N100  1  0.51601628  0.59205684  0.38072533  1
  N  N101  1  0.48398408  0.40794221  0.61927277  1
  N  N102  1  0.29248856  0.58224689  0.55579636  1
  N  N103  1  0.70750629  0.41775227  0.44420084  1
  N  N104  1  0.30520999  0.10313979  0.50141006  1
  N  N105  1  0.69479102  0.89686359  0.49858511  1
  N  N106  1  0.69750656  0.10198973  0.48546647  1
  N  N107  1  0.30248704  0.89801456  0.51452900  1
  N  N108  1  0.49576048  0.99730567  0.64515502  1
  N  N109  1  0.50423868  0.00269821  0.35484560  1
  N  N110  1  0.31627434  0.41582380  0.45134473  1
  N  N111  1  0.68372485  0.58417586  0.54865301  1
  N  N112  1  0.01679089  0.83855088  0.20376701  1
  N  N113  1  0.98319971  0.16144612  0.79623347  1
  N  N114  1  0.26346096  0.35375471  0.07927862  1
  N  N115  1  0.73654013  0.64624445  0.92073059  1
  O  O116  1  0.01630406  0.88312149  0.27482670  1
  O  O117  1  0.98367217  0.11687565  0.72517440  1
  O  O118  1  0.01287509  0.87788508  0.12754328  1
  O  O119  1  0.98712263  0.12211162  0.87245657  1
  O  O120  1  0.12250816  0.30543765  0.09854222  1
  O  O121  1  0.87749641  0.69455949  0.90146984  1
  O  O122  1  0.28571232  0.41449370  0.01430823  1
  O  O123  1  0.71428196  0.58550521  0.98570045  1
