# generated using pymatgen
data_MnFeH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48514846
_cell_length_b   13.98039759
_cell_length_c   14.88319072
_cell_angle_alpha   87.37610143
_cell_angle_beta   83.15502761
_cell_angle_gamma   89.60624530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH36Pd2C60(N2O)8
_chemical_formula_sum   'Mn1 Fe1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.73275252
_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  0.49999924  0.49999939  0.49999866  1
  Fe  Fe1  1  0.49999788  0.00000273  0.49999731  1
  H  H2  1  0.53245900  0.47670594  0.29722596  1
  H  H3  1  0.46754007  0.52329318  0.70277222  1
  H  H4  1  0.53799465  0.57435746  0.15369925  1
  H  H5  1  0.46199586  0.42564108  0.84629906  1
  H  H6  1  0.50261927  0.82611481  0.31345309  1
  H  H7  1  0.49738998  0.17388452  0.68654364  1
  H  H8  1  0.50326874  0.71939587  0.44950325  1
  H  H9  1  0.49674135  0.28060378  0.55049445  1
  H  H10  1  0.77635029  0.00392934  0.64063977  1
  H  H11  1  0.22364851  0.99607206  0.35936364  1
  H  H12  1  0.78247108  0.96085870  0.80224789  1
  H  H13  1  0.21752441  0.03913882  0.19775400  1
  H  H14  1  0.20052478  0.95379740  0.83235740  1
  H  H15  1  0.79946925  0.04620773  0.16764187  1
  H  H16  1  0.21435199  0.99688117  0.66939995  1
  H  H17  1  0.78564736  0.00312602  0.33059981  1
  H  H18  1  0.01570643  0.71804219  0.06852471  1
  H  H19  1  0.98429532  0.28195410  0.93147490  1
  H  H20  1  0.02611640  0.54056513  0.08353968  1
  H  H21  1  0.97388923  0.45943212  0.91646009  1
  H  H22  1  0.03765155  0.45860195  0.23533456  1
  H  H23  1  0.96235123  0.54139501  0.76466552  1
  H  H24  1  0.03590908  0.55481003  0.37148573  1
  H  H25  1  0.96409335  0.44518683  0.62851433  1
  H  H26  1  0.02732021  0.73296065  0.35603929  1
  H  H27  1  0.97267781  0.26703583  0.64396144  1
  H  H28  1  0.23803075  0.26363310  0.24216422  1
  H  H29  1  0.76198153  0.73637102  0.75784572  1
  H  H30  1  0.48902364  0.23502299  0.33601277  1
  H  H31  1  0.51099600  0.76498219  0.66399294  1
  H  H32  1  0.79862847  0.28858563  0.27749759  1
  H  H33  1  0.20138923  0.71141589  0.72250101  1
  H  H34  1  0.85532220  0.37513600  0.12658424  1
  H  H35  1  0.14468811  0.62485859  0.87341026  1
  H  H36  1  0.60210477  0.41014439  0.03600478  1
  H  H37  1  0.39789771  0.58985027  0.96399450  1
  Pd  Pd38  1  0.00910902  0.25673986  0.45973945  1
  Pd  Pd39  1  0.99088956  0.74326095  0.54025219  1
  C  C40  1  0.52653106  0.55434673  0.29803850  1
  C  C41  1  0.47346658  0.44565221  0.70195958  1
  C  C42  1  0.52816037  0.60859065  0.21798337  1
  C  C43  1  0.47183390  0.39140786  0.78201505  1
  C  C44  1  0.51759100  0.70925355  0.22100505  1
  C  C45  1  0.48240724  0.29074507  0.77899355  1
  C  C46  1  0.50899963  0.74921251  0.30685840  1
  C  C47  1  0.49100482  0.25078688  0.69313910  1
  C  C48  1  0.50957554  0.68926792  0.38311438  1
  C  C49  1  0.49042989  0.31073150  0.61688328  1
  C  C50  1  0.51240671  0.76679553  0.14206287  1
  C  C51  1  0.48758512  0.23320245  0.85793543  1
  C  C52  1  0.50576685  0.81620857  0.07127308  1
  C  C53  1  0.49421894  0.18379065  0.92872595  1
  C  C54  1  0.17516331  0.64143722  0.55545275  1
  C  C55  1  0.82483160  0.35856215  0.44454159  1
  C  C56  1  0.19485075  0.15879066  0.48714742  1
  C  C57  1  0.80514911  0.84121154  0.51284567  1
  C  C58  1  0.81320075  0.15789566  0.47532151  1
  C  C59  1  0.18679614  0.84210645  0.52467186  1
  C  C60  1  0.19954575  0.35783204  0.44919158  1
  C  C61  1  0.80045205  0.64216860  0.55080384  1
  C  C62  1  0.65059577  0.99043060  0.68402787  1
  C  C63  1  0.34940129  0.00957105  0.31597406  1
  C  C64  1  0.65492594  0.96572890  0.77461145  1
  C  C65  1  0.34506925  0.03427255  0.22539074  1
  C  C66  1  0.49146270  0.94672008  0.83049002  1
  C  C67  1  0.50853070  0.05328519  0.16951227  1
  C  C68  1  0.32986674  0.96191329  0.79138607  1
  C  C69  1  0.67012868  0.03809280  0.20861469  1
  C  C70  1  0.33843795  0.98650668  0.70000576  1
  C  C71  1  0.66156087  0.01349892  0.29999428  1
  C  C72  1  0.49068718  0.90978784  0.91951613  1
  C  C73  1  0.50930620  0.09021769  0.08048628  1
  C  C74  1  0.49764583  0.86644325  0.99342524  1
  C  C75  1  0.50234020  0.13355726  0.00657542  1
  C  C76  1  0.02224604  0.73535960  0.21159471  1
  C  C77  1  0.97775210  0.26463732  0.78840554  1
  C  C78  1  0.02182541  0.68173056  0.13423132  1
  C  C79  1  0.97817731  0.31826632  0.86576873  1
  C  C80  1  0.02706089  0.58250018  0.14332198  1
  C  C81  1  0.97294260  0.41749667  0.85667805  1
  C  C82  1  0.03318349  0.53648694  0.22847022  1
  C  C83  1  0.96681831  0.46351008  0.77152989  1
  C  C84  1  0.03268381  0.59059197  0.30513931  1
  C  C85  1  0.96731757  0.40940490  0.69486080  1
  C  C86  1  0.02734145  0.68983714  0.29712893  1
  C  C87  1  0.97265847  0.31015966  0.70287136  1
  C  C88  1  0.40629991  0.33828413  0.13370881  1
  C  C89  1  0.59370667  0.66171701  0.86629753  1
  C  C90  1  0.37327661  0.28856840  0.21829284  1
  C  C91  1  0.62673448  0.71143555  0.78171486  1
  C  C92  1  0.51425763  0.27220481  0.26977805  1
  C  C93  1  0.48575756  0.72779966  0.73022680  1
  C  C94  1  0.68816521  0.30278566  0.23705518  1
  C  C95  1  0.31184918  0.69721635  0.76294541  1
  C  C96  1  0.71968991  0.35229903  0.15283751  1
  C  C97  1  0.28032038  0.64769938  0.84716114  1
  C  C98  1  0.57971570  0.37145646  0.10136088  1
  C  C99  1  0.42029055  0.62854214  0.89864054  1
  N  N100  1  0.51607051  0.59278209  0.38005442  1
  N  N101  1  0.48392966  0.40721707  0.61994373  1
  N  N102  1  0.28791284  0.58307227  0.55908973  1
  N  N103  1  0.71208146  0.41692723  0.44090853  1
  N  N104  1  0.30654240  0.10257725  0.50146194  1
  N  N105  1  0.69345852  0.89742619  0.49853322  1
  N  N106  1  0.69618444  0.10142286  0.48559807  1
  N  N107  1  0.30380992  0.89858122  0.51439721  1
  N  N108  1  0.49573060  0.99731571  0.64507141  1
  N  N109  1  0.50426866  0.00268806  0.35492980  1
  N  N110  1  0.31361562  0.41502540  0.44894823  1
  N  N111  1  0.68638407  0.58497413  0.55104911  1
  N  N112  1  0.01676955  0.83854321  0.20377546  1
  N  N113  1  0.98322132  0.16145382  0.79622492  1
  N  N114  1  0.26347429  0.35378664  0.07927252  1
  N  N115  1  0.73652659  0.64621243  0.92073683  1
  O  O116  1  0.01627550  0.88302712  0.27488479  1
  O  O117  1  0.98370090  0.11697006  0.72511629  1
  O  O118  1  0.01287283  0.87780165  0.12750878  1
  O  O119  1  0.98712474  0.12219505  0.87249110  1
  O  O120  1  0.12249977  0.30547298  0.09860816  1
  O  O121  1  0.87750496  0.69452436  0.90140394  1
  O  O122  1  0.28588008  0.41446934  0.01429569  1
  O  O123  1  0.71411381  0.58552951  0.98571307  1
