# generated using pymatgen
data_MnCoH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48535688
_cell_length_b   13.98063406
_cell_length_c   14.88309748
_cell_angle_alpha   87.37755627
_cell_angle_beta   83.15452093
_cell_angle_gamma   89.60597168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoH36Pd2C60(N2O)8
_chemical_formula_sum   'Mn1 Co1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.79235567
_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
  Co  Co0  1  0.49999882  0.49999885  0.49999870  1
  Mn  Mn1  1  0.49999781  0.00000254  0.49999760  1
  H  H2  1  0.53252638  0.47683104  0.29777649  1
  H  H3  1  0.46747327  0.52316782  0.70222135  1
  H  H4  1  0.53792335  0.57444299  0.15380607  1
  H  H5  1  0.46206707  0.42555565  0.84619226  1
  H  H6  1  0.50260003  0.82589139  0.31349309  1
  H  H7  1  0.49740919  0.17410846  0.68650363  1
  H  H8  1  0.50327901  0.71892429  0.44954269  1
  H  H9  1  0.49673119  0.28107526  0.55045470  1
  H  H10  1  0.77600007  0.00378285  0.64060675  1
  H  H11  1  0.22399877  0.99621866  0.35939671  1
  H  H12  1  0.78255953  0.96072382  0.80244314  1
  H  H13  1  0.21743565  0.03927369  0.19755844  1
  H  H14  1  0.20046445  0.95368258  0.83251148  1
  H  H15  1  0.79952941  0.04632269  0.16748756  1
  H  H16  1  0.21479346  0.99672741  0.66930023  1
  H  H17  1  0.78520609  0.00327986  0.33069967  1
  H  H18  1  0.01577848  0.71802740  0.06868888  1
  H  H19  1  0.98422328  0.28196875  0.93131075  1
  H  H20  1  0.02602708  0.54055563  0.08370478  1
  H  H21  1  0.97397893  0.45944147  0.91629488  1
  H  H22  1  0.03739439  0.45856194  0.23542032  1
  H  H23  1  0.96260848  0.54143510  0.76457977  1
  H  H24  1  0.03585228  0.55479425  0.37145693  1
  H  H25  1  0.96415020  0.44520249  0.62854334  1
  H  H26  1  0.02722400  0.73286109  0.35597147  1
  H  H27  1  0.97277393  0.26713542  0.64402935  1
  H  H28  1  0.23814648  0.26373178  0.24221687  1
  H  H29  1  0.76186562  0.73627216  0.75779312  1
  H  H30  1  0.48920627  0.23516330  0.33609199  1
  H  H31  1  0.51081349  0.76484197  0.66391345  1
  H  H32  1  0.79873501  0.28864170  0.27756583  1
  H  H33  1  0.20128244  0.71135980  0.72243274  1
  H  H34  1  0.85523568  0.37520211  0.12672701  1
  H  H35  1  0.14477471  0.62479243  0.87326726  1
  H  H36  1  0.60204569  0.41007768  0.03610895  1
  H  H37  1  0.39795660  0.58991698  0.96389018  1
  Pd  Pd38  1  0.00940500  0.25909700  0.45894961  1
  Pd  Pd39  1  0.99059412  0.74090407  0.54104199  1
  C  C40  1  0.52648151  0.55436982  0.29831223  1
  C  C41  1  0.47351610  0.44562901  0.70168629  1
  C  C42  1  0.52811959  0.60853442  0.21813174  1
  C  C43  1  0.47187448  0.39146407  0.78186669  1
  C  C44  1  0.51761780  0.70917400  0.22112818  1
  C  C45  1  0.48238081  0.29082458  0.77886946  1
  C  C46  1  0.50897404  0.74900531  0.30709425  1
  C  C47  1  0.49103031  0.25099372  0.69290377  1
  C  C48  1  0.50951367  0.68887350  0.38321322  1
  C  C49  1  0.49049151  0.31112580  0.61678473  1
  C  C50  1  0.51240355  0.76669298  0.14222988  1
  C  C51  1  0.48758859  0.23330479  0.85776907  1
  C  C52  1  0.50571829  0.81613172  0.07142560  1
  C  C53  1  0.49426721  0.18386718  0.92857387  1
  C  C54  1  0.17672253  0.63992157  0.55585143  1
  C  C55  1  0.82327108  0.36007755  0.44414297  1
  C  C56  1  0.19243213  0.16056205  0.48656968  1
  C  C57  1  0.80756793  0.83944036  0.51342357  1
  C  C58  1  0.81590210  0.15976850  0.47492925  1
  C  C59  1  0.18409532  0.84023376  0.52506366  1
  C  C60  1  0.20123844  0.35935365  0.44877116  1
  C  C61  1  0.79876014  0.64064724  0.55122427  1
  C  C62  1  0.65082655  0.99037007  0.68432799  1
  C  C63  1  0.34917083  0.00963147  0.31567439  1
  C  C64  1  0.65522210  0.96577807  0.77479008  1
  C  C65  1  0.34477282  0.03422325  0.22521257  1
  C  C66  1  0.49151554  0.94675017  0.83067258  1
  C  C67  1  0.50847784  0.05325515  0.16932942  1
  C  C68  1  0.32966009  0.96195733  0.79155280  1
  C  C69  1  0.67033499  0.03804888  0.20844806  1
  C  C70  1  0.33832018  0.98641454  0.70028049  1
  C  C71  1  0.66167851  0.01359073  0.29971992  1
  C  C72  1  0.49073715  0.90968650  0.91958543  1
  C  C73  1  0.50925743  0.09031991  0.08041665  1
  C  C74  1  0.49764053  0.86631942  0.99351249  1
  C  C75  1  0.50234494  0.13368093  0.00648796  1
  C  C76  1  0.02228946  0.73552612  0.21162831  1
  C  C77  1  0.97770901  0.26447070  0.78837217  1
  C  C78  1  0.02190269  0.68167883  0.13430825  1
  C  C79  1  0.97810032  0.31831808  0.86569179  1
  C  C80  1  0.02707664  0.58253190  0.14338623  1
  C  C81  1  0.97292672  0.41746508  0.85661368  1
  C  C82  1  0.03316306  0.53646747  0.22854753  1
  C  C83  1  0.96683844  0.46352945  0.77145250  1
  C  C84  1  0.03264943  0.59064152  0.30518756  1
  C  C85  1  0.96735187  0.40935528  0.69481259  1
  C  C86  1  0.02732448  0.68973200  0.29715439  1
  C  C87  1  0.97267569  0.31026492  0.70284585  1
  C  C88  1  0.40606683  0.33828400  0.13366294  1
  C  C89  1  0.59394052  0.66171754  0.86634319  1
  C  C90  1  0.37335033  0.28857274  0.21832896  1
  C  C91  1  0.62666078  0.71143153  0.78167863  1
  C  C92  1  0.51421908  0.27220748  0.26980023  1
  C  C93  1  0.48579570  0.72779711  0.73020497  1
  C  C94  1  0.68816588  0.30282045  0.23712973  1
  C  C95  1  0.31184854  0.69718156  0.76287127  1
  C  C96  1  0.71959696  0.35236477  0.15285636  1
  C  C97  1  0.28041355  0.64763362  0.84714257  1
  C  C98  1  0.57972931  0.37144861  0.10142815  1
  C  C99  1  0.42027707  0.62855005  0.89857323  1
  N  N100  1  0.51609697  0.59258633  0.38010937  1
  N  N101  1  0.48390368  0.40741279  0.61988875  1
  N  N102  1  0.29109498  0.58225071  0.55718655  1
  N  N103  1  0.70889857  0.41774874  0.44281064  1
  N  N104  1  0.30272821  0.10443514  0.50254578  1
  N  N105  1  0.69727249  0.89556860  0.49744939  1
  N  N106  1  0.69965451  0.10311996  0.48543862  1
  N  N107  1  0.30033995  0.89688405  0.51455655  1
  N  N108  1  0.49581686  0.99742856  0.64580597  1
  N  N109  1  0.50418295  0.00257495  0.35419469  1
  N  N110  1  0.31576173  0.41580790  0.45049555  1
  N  N111  1  0.68423750  0.58419211  0.54950233  1
  N  N112  1  0.01683798  0.83852133  0.20375275  1
  N  N113  1  0.98315302  0.16147557  0.79624767  1
  N  N114  1  0.26343274  0.35372065  0.07931633  1
  N  N115  1  0.73656829  0.64627850  0.92069300  1
  O  O116  1  0.01640884  0.88297850  0.27486069  1
  O  O117  1  0.98356670  0.11701865  0.72514039  1
  O  O118  1  0.01290642  0.87767538  0.12749760  1
  O  O119  1  0.98709137  0.12232125  0.87250207  1
  O  O120  1  0.12275935  0.30526866  0.09863110  1
  O  O121  1  0.87724486  0.69472842  0.90138092  1
  O  O122  1  0.28594540  0.41451899  0.01444072  1
  O  O123  1  0.71404800  0.58547982  0.98556817  1
