# generated using pymatgen
data_MnCoH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48514317
_cell_length_b   13.98044655
_cell_length_c   14.88307948
_cell_angle_alpha   87.37866063
_cell_angle_beta   83.15408211
_cell_angle_gamma   89.60665000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoH36Pd2C60(N2O)8
_chemical_formula_sum   'Mn1 Co1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.72563011
_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
  Mn  Mn0  1  0.49999951  0.49999936  0.49999887  1
  Co  Co1  1  0.49999821  0.00000305  0.49999756  1
  H  H2  1  0.53275596  0.47663008  0.29766463  1
  H  H3  1  0.46724363  0.52336922  0.70233265  1
  H  H4  1  0.53783995  0.57440358  0.15364633  1
  H  H5  1  0.46215060  0.42559507  0.84635149  1
  H  H6  1  0.50247484  0.82611807  0.31350020  1
  H  H7  1  0.49753451  0.17388164  0.68649576  1
  H  H8  1  0.50312017  0.71895558  0.44965695  1
  H  H9  1  0.49689022  0.28104439  0.55034063  1
  H  H10  1  0.77455372  0.00369928  0.63985720  1
  H  H11  1  0.22544592  0.99630215  0.36014670  1
  H  H12  1  0.78241845  0.96046259  0.80268613  1
  H  H13  1  0.21757529  0.03953478  0.19731505  1
  H  H14  1  0.20054893  0.95347265  0.83267796  1
  H  H15  1  0.79944382  0.04653268  0.16732049  1
  H  H16  1  0.21659663  0.99659877  0.66828254  1
  H  H17  1  0.78340429  0.00340911  0.33171638  1
  H  H18  1  0.01588927  0.71828858  0.06879050  1
  H  H19  1  0.98411234  0.28170791  0.93120937  1
  H  H20  1  0.02581201  0.54034959  0.08367439  1
  H  H21  1  0.97419387  0.45964805  0.91632543  1
  H  H22  1  0.03689415  0.45850805  0.23560256  1
  H  H23  1  0.96310919  0.54148884  0.76439724  1
  H  H24  1  0.03583511  0.55456871  0.37173770  1
  H  H25  1  0.96416747  0.44542776  0.62826243  1
  H  H26  1  0.02697403  0.73306107  0.35611013  1
  H  H27  1  0.97302361  0.26693559  0.64389073  1
  H  H28  1  0.23786901  0.26384276  0.24234109  1
  H  H29  1  0.76214277  0.73616095  0.75766852  1
  H  H30  1  0.48946672  0.23501700  0.33643661  1
  H  H31  1  0.51055310  0.76498804  0.66356845  1
  H  H32  1  0.79872307  0.28872417  0.27756529  1
  H  H33  1  0.20129439  0.71127685  0.72243318  1
  H  H34  1  0.85561005  0.37539521  0.12690290  1
  H  H35  1  0.14440085  0.62459886  0.87309132  1
  H  H36  1  0.60184053  0.41007560  0.03608533  1
  H  H37  1  0.39816176  0.58991871  0.96391414  1
  Pd  Pd38  1  0.00906189  0.25845511  0.45952036  1
  Pd  Pd39  1  0.99093710  0.74154589  0.54047200  1
  C  C40  1  0.52652000  0.55426576  0.29805178  1
  C  C41  1  0.47347748  0.44573312  0.70194640  1
  C  C42  1  0.52816914  0.60846933  0.21799039  1
  C  C43  1  0.47182450  0.39152923  0.78200783  1
  C  C44  1  0.51758141  0.70921789  0.22110142  1
  C  C45  1  0.48241686  0.29078017  0.77889689  1
  C  C46  1  0.50914222  0.74921221  0.30698750  1
  C  C47  1  0.49086198  0.25078691  0.69301043  1
  C  C48  1  0.50945746  0.68924432  0.38312072  1
  C  C49  1  0.49054777  0.31075513  0.61687732  1
  C  C50  1  0.51250647  0.76676195  0.14220290  1
  C  C51  1  0.48748813  0.23323497  0.85779569  1
  C  C52  1  0.50543836  0.81620853  0.07149328  1
  C  C53  1  0.49454516  0.18379085  0.92850719  1
  C  C54  1  0.17537767  0.64109153  0.55588882  1
  C  C55  1  0.82461505  0.35890617  0.44410571  1
  C  C56  1  0.19211598  0.16066582  0.48631919  1
  C  C57  1  0.80788396  0.83933668  0.51367382  1
  C  C58  1  0.81617589  0.15984274  0.47496891  1
  C  C59  1  0.18382143  0.84015947  0.52502312  1
  C  C60  1  0.19965559  0.35809948  0.44915025  1
  C  C61  1  0.80034292  0.64190152  0.55084439  1
  C  C62  1  0.65025962  0.99027037  0.68426746  1
  C  C63  1  0.34973759  0.00973140  0.31573448  1
  C  C64  1  0.65515891  0.96586561  0.77489573  1
  C  C65  1  0.34483532  0.03413563  0.22510663  1
  C  C66  1  0.49153015  0.94699242  0.83068328  1
  C  C67  1  0.50846309  0.05301307  0.16931981  1
  C  C68  1  0.32972554  0.96205862  0.79166424  1
  C  C69  1  0.67026943  0.03794789  0.20833696  1
  C  C70  1  0.33902663  0.98633052  0.70014710  1
  C  C71  1  0.66097183  0.01367495  0.29985383  1
  C  C72  1  0.49116796  0.90934928  0.91949237  1
  C  C73  1  0.50882976  0.09065765  0.08051072  1
  C  C74  1  0.49761545  0.86620280  0.99347680  1
  C  C75  1  0.50236970  0.13379607  0.00652378  1
  C  C76  1  0.02233858  0.73529744  0.21174119  1
  C  C77  1  0.97766157  0.26469930  0.78825902  1
  C  C78  1  0.02198289  0.68157438  0.13431311  1
  C  C79  1  0.97802110  0.31842248  0.86568682  1
  C  C80  1  0.02723518  0.58238087  0.14341341  1
  C  C81  1  0.97276731  0.41761604  0.85658687  1
  C  C82  1  0.03314370  0.53640056  0.22864491  1
  C  C83  1  0.96685661  0.46359624  0.77135550  1
  C  C84  1  0.03264238  0.59046932  0.30540372  1
  C  C85  1  0.96735888  0.40952758  0.69459646  1
  C  C86  1  0.02735794  0.68962035  0.29738321  1
  C  C87  1  0.97264282  0.31037648  0.70261706  1
  C  C88  1  0.40644600  0.33822263  0.13390676  1
  C  C89  1  0.59356044  0.66177882  0.86609963  1
  C  C90  1  0.37339970  0.28855020  0.21865064  1
  C  C91  1  0.62661115  0.71145460  0.78135725  1
  C  C92  1  0.51432134  0.27222585  0.27011065  1
  C  C93  1  0.48569350  0.72777913  0.72989460  1
  C  C94  1  0.68814262  0.30290009  0.23720921  1
  C  C95  1  0.31187217  0.69710233  0.76279156  1
  C  C96  1  0.71977846  0.35257044  0.15299744  1
  C  C97  1  0.28023195  0.64742867  0.84700151  1
  C  C98  1  0.57986990  0.37148891  0.10147890  1
  C  C99  1  0.42013564  0.62850958  0.89852278  1
  N  N100  1  0.51600857  0.59274436  0.38007953  1
  N  N101  1  0.48399164  0.40725506  0.61991841  1
  N  N102  1  0.28887994  0.58311399  0.55859385  1
  N  N103  1  0.71111469  0.41688522  0.44140376  1
  N  N104  1  0.30240728  0.10458691  0.50223184  1
  N  N105  1  0.69759368  0.89541674  0.49776255  1
  N  N106  1  0.69991864  0.10321895  0.48531840  1
  N  N107  1  0.30007402  0.89678615  0.51467748  1
  N  N108  1  0.49588886  0.99751883  0.64592192  1
  N  N109  1  0.50411042  0.00248438  0.35407889  1
  N  N110  1  0.31421030  0.41501609  0.44871238  1
  N  N111  1  0.68578980  0.58498327  0.55128597  1
  N  N112  1  0.01691107  0.83857552  0.20375186  1
  N  N113  1  0.98307936  0.16142118  0.79624840  1
  N  N114  1  0.26357873  0.35364919  0.07932666  1
  N  N115  1  0.73642299  0.64634990  0.92068245  1
  O  O116  1  0.01654142  0.88316397  0.27474339  1
  O  O117  1  0.98343280  0.11683264  0.72525757  1
  O  O118  1  0.01294215  0.87779463  0.12753960  1
  O  O119  1  0.98705593  0.12220198  0.87245991  1
  O  O120  1  0.12296148  0.30509397  0.09841490  1
  O  O121  1  0.87704398  0.69490292  0.90159742  1
  O  O122  1  0.28522345  0.41461353  0.01455602  1
  O  O123  1  0.71476963  0.58538565  0.98545288  1
