# generated using pymatgen
data_FeNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48488149
_cell_length_b   13.97985519
_cell_length_c   14.88278206
_cell_angle_alpha   87.37634189
_cell_angle_beta   83.15507551
_cell_angle_gamma   89.60613545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH36Pd2C60(N2O)8
_chemical_formula_sum   'Fe1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.57576198
_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  0.49999868  0.49999941  0.49999871  1
  Fe  Fe1  1  0.49999859  0.00000241  0.49999750  1
  H  H2  1  0.53251482  0.47682474  0.29784224  1
  H  H3  1  0.46748433  0.52317432  0.70215566  1
  H  H4  1  0.53796369  0.57443976  0.15388530  1
  H  H5  1  0.46202677  0.42555897  0.84611275  1
  H  H6  1  0.50262093  0.82588947  0.31356843  1
  H  H7  1  0.49738822  0.17410997  0.68642815  1
  H  H8  1  0.50327182  0.71889609  0.44945270  1
  H  H9  1  0.49673819  0.28110340  0.55054493  1
  H  H10  1  0.77622349  0.00392300  0.64056925  1
  H  H11  1  0.22377553  0.99607833  0.35943405  1
  H  H12  1  0.78246299  0.96083516  0.80226963  1
  H  H13  1  0.21753189  0.03916240  0.19773201  1
  H  H14  1  0.20049961  0.95377827  0.83237104  1
  H  H15  1  0.79949417  0.04622686  0.16762815  1
  H  H16  1  0.21448735  0.99688342  0.66932162  1
  H  H17  1  0.78551213  0.00312382  0.33067808  1
  H  H18  1  0.01571679  0.71802395  0.06852278  1
  H  H19  1  0.98428499  0.28197227  0.93147692  1
  H  H20  1  0.02609710  0.54056590  0.08357938  1
  H  H21  1  0.97390839  0.45943147  0.91642041  1
  H  H22  1  0.03754813  0.45858869  0.23541823  1
  H  H23  1  0.96245471  0.54140828  0.76458174  1
  H  H24  1  0.03585404  0.55476216  0.37156523  1
  H  H25  1  0.96414843  0.44523463  0.62843482  1
  H  H26  1  0.02728470  0.73289815  0.35613038  1
  H  H27  1  0.97271328  0.26709843  0.64387027  1
  H  H28  1  0.23800382  0.26366656  0.24220947  1
  H  H29  1  0.76200823  0.73633746  0.75780055  1
  H  H30  1  0.48898680  0.23517835  0.33616057  1
  H  H31  1  0.51103279  0.76482701  0.66384501  1
  H  H32  1  0.79862085  0.28865560  0.27752641  1
  H  H33  1  0.20139615  0.71134651  0.72247270  1
  H  H34  1  0.85528636  0.37515956  0.12660328  1
  H  H35  1  0.14472399  0.62483499  0.87339124  1
  H  H36  1  0.60207251  0.41014320  0.03600253  1
  H  H37  1  0.39793016  0.58985144  0.96399682  1
  Pd  Pd38  1  0.00925529  0.25765705  0.45941055  1
  Pd  Pd39  1  0.99074343  0.74234389  0.54058143  1
  C  C40  1  0.52642361  0.55442764  0.29855901  1
  C  C41  1  0.47357424  0.44557128  0.70143896  1
  C  C42  1  0.52810468  0.60856729  0.21820693  1
  C  C43  1  0.47188955  0.39143138  0.78179138  1
  C  C44  1  0.51756133  0.70918451  0.22110857  1
  C  C45  1  0.48243700  0.29081423  0.77888932  1
  C  C46  1  0.50897029  0.74897224  0.30703072  1
  C  C47  1  0.49103406  0.25102686  0.69296706  1
  C  C48  1  0.50951226  0.68860263  0.38318333  1
  C  C49  1  0.49049288  0.31139665  0.61681456  1
  C  C50  1  0.51242373  0.76677087  0.14209112  1
  C  C51  1  0.48756815  0.23322641  0.85790752  1
  C  C52  1  0.50574741  0.81618190  0.07133747  1
  C  C53  1  0.49423824  0.18381753  0.92866197  1
  C  C54  1  0.17633752  0.64025543  0.55575183  1
  C  C55  1  0.82365685  0.35974316  0.44424190  1
  C  C56  1  0.19458663  0.15932254  0.48701453  1
  C  C57  1  0.80541320  0.84067980  0.51297871  1
  C  C58  1  0.81350486  0.15843891  0.47523206  1
  C  C59  1  0.18649235  0.84156337  0.52476118  1
  C  C60  1  0.20087392  0.35897773  0.44894384  1
  C  C61  1  0.79912514  0.64102317  0.55105153  1
  C  C62  1  0.65065917  0.99039968  0.68407175  1
  C  C63  1  0.34933829  0.00960204  0.31593013  1
  C  C64  1  0.65499528  0.96573534  0.77463182  1
  C  C65  1  0.34499976  0.03426599  0.22537051  1
  C  C66  1  0.49148060  0.94671052  0.83053765  1
  C  C67  1  0.50851278  0.05329476  0.16946486  1
  C  C68  1  0.32980744  0.96191379  0.79141169  1
  C  C69  1  0.67018810  0.03809230  0.20858917  1
  C  C70  1  0.33840339  0.98647389  0.70005375  1
  C  C71  1  0.66159509  0.01353164  0.29994681  1
  C  C72  1  0.49071655  0.90974681  0.91954734  1
  C  C73  1  0.50927732  0.09025896  0.08045491  1
  C  C74  1  0.49764916  0.86640872  0.99346096  1
  C  C75  1  0.50233678  0.13359141  0.00653983  1
  C  C76  1  0.02225735  0.73533513  0.21164287  1
  C  C77  1  0.97774103  0.26466171  0.78835741  1
  C  C78  1  0.02184972  0.68167448  0.13423092  1
  C  C79  1  0.97815312  0.31832242  0.86576911  1
  C  C80  1  0.02708421  0.58248062  0.14335536  1
  C  C81  1  0.97291920  0.41751622  0.85664466  1
  C  C82  1  0.03317269  0.53646104  0.22853254  1
  C  C83  1  0.96682901  0.46353588  0.77146761  1
  C  C84  1  0.03264713  0.59055603  0.30522703  1
  C  C85  1  0.96735426  0.40944086  0.69477307  1
  C  C86  1  0.02734335  0.68971547  0.29725261  1
  C  C87  1  0.97265657  0.31028148  0.70274753  1
  C  C88  1  0.40634035  0.33828670  0.13372973  1
  C  C89  1  0.59366616  0.66171450  0.86627671  1
  C  C90  1  0.37331776  0.28855338  0.21837032  1
  C  C91  1  0.62669362  0.71145068  0.78163753  1
  C  C92  1  0.51423836  0.27222301  0.26983443  1
  C  C93  1  0.48577694  0.72778156  0.73017081  1
  C  C94  1  0.68814224  0.30278564  0.23709609  1
  C  C95  1  0.31187253  0.69721654  0.76290470  1
  C  C96  1  0.71969631  0.35232202  0.15284213  1
  C  C97  1  0.28031419  0.64767650  0.84715660  1
  C  C98  1  0.57986388  0.37146052  0.10135911  1
  C  C99  1  0.42014201  0.62853801  0.89864244  1
  N  N100  1  0.51591724  0.59243793  0.38040369  1
  N  N101  1  0.48408314  0.40756123  0.61959431  1
  N  N102  1  0.29109738  0.58265010  0.55607051  1
  N  N103  1  0.70889682  0.41734883  0.44392679  1
  N  N104  1  0.30583593  0.10285908  0.50146870  1
  N  N105  1  0.69416463  0.89714451  0.49852625  1
  N  N106  1  0.69688922  0.10171804  0.48552998  1
  N  N107  1  0.30310476  0.89828620  0.51446543  1
  N  N108  1  0.49574307  0.99730950  0.64521265  1
  N  N109  1  0.50425598  0.00269448  0.35478793  1
  N  N110  1  0.31514797  0.41548342  0.45130274  1
  N  N111  1  0.68485142  0.58451636  0.54869519  1
  N  N112  1  0.01677777  0.83855660  0.20377712  1
  N  N113  1  0.98321280  0.16144039  0.79622341  1
  N  N114  1  0.26343252  0.35377650  0.07925703  1
  N  N115  1  0.73656870  0.64622266  0.92075224  1
  O  O116  1  0.01629273  0.88312976  0.27482033  1
  O  O117  1  0.98368376  0.11686733  0.72518079  1
  O  O118  1  0.01288157  0.87784546  0.12754410  1
  O  O119  1  0.98711607  0.12215124  0.87245574  1
  O  O120  1  0.12253633  0.30545378  0.09854035  1
  O  O121  1  0.87746815  0.69454342  0.90147167  1
  O  O122  1  0.28576590  0.41445260  0.01432154  1
  O  O123  1  0.71422839  0.58554623  0.98568714  1
