# generated using pymatgen
data_MnFeH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48508728
_cell_length_b   13.98045512
_cell_length_c   14.88342074
_cell_angle_alpha   87.37445565
_cell_angle_beta   83.15612280
_cell_angle_gamma   89.60527156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH36Pd2C60(N2O)8
_chemical_formula_sum   'Mn1 Fe1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.75183462
_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
  Fe  Fe0  1  0.49999868  0.49999952  0.49999834  1
  Mn  Mn1  1  0.49999935  0.00000164  0.49999765  1
  H  H2  1  0.53237473  0.47634033  0.29649546  1
  H  H3  1  0.46762384  0.52365866  0.70350277  1
  H  H4  1  0.53817354  0.57403525  0.15396999  1
  H  H5  1  0.46181699  0.42596359  0.84602858  1
  H  H6  1  0.50272944  0.82597423  0.31392168  1
  H  H7  1  0.49727969  0.17402509  0.68607552  1
  H  H8  1  0.50351074  0.72027272  0.44930182  1
  H  H9  1  0.49649925  0.27972690  0.55069548  1
  H  H10  1  0.77627100  0.00419367  0.64102409  1
  H  H11  1  0.22372829  0.99580774  0.35897843  1
  H  H12  1  0.78259851  0.96102289  0.80242475  1
  H  H13  1  0.21739655  0.03897492  0.19757740  1
  H  H14  1  0.20013882  0.95391501  0.83257613  1
  H  H15  1  0.79985595  0.04609006  0.16742327  1
  H  H16  1  0.21402126  0.99720284  0.66999346  1
  H  H17  1  0.78597745  0.00280408  0.33000656  1
  H  H18  1  0.01546019  0.71801483  0.06821664  1
  H  H19  1  0.98454141  0.28198163  0.93178300  1
  H  H20  1  0.02640572  0.54065303  0.08320853  1
  H  H21  1  0.97360011  0.45934401  0.91679133  1
  H  H22  1  0.03844039  0.45869320  0.23506528  1
  H  H23  1  0.96156220  0.54130366  0.76493479  1
  H  H24  1  0.03601400  0.55495248  0.37139942  1
  H  H25  1  0.96398832  0.44504448  0.62860056  1
  H  H26  1  0.02769307  0.73299586  0.35588972  1
  H  H27  1  0.97230499  0.26700068  0.64411095  1
  H  H28  1  0.23790628  0.26338930  0.24190066  1
  H  H29  1  0.76210569  0.73661497  0.75810959  1
  H  H30  1  0.48851595  0.23483833  0.33588297  1
  H  H31  1  0.51150361  0.76516722  0.66412283  1
  H  H32  1  0.79846854  0.28843615  0.27735424  1
  H  H33  1  0.20154919  0.71156564  0.72264402  1
  H  H34  1  0.85546083  0.37484806  0.12621307  1
  H  H35  1  0.14454938  0.62514679  0.87378168  1
  H  H36  1  0.60220897  0.41022378  0.03586071  1
  H  H37  1  0.39779366  0.58977090  0.96413892  1
  Pd  Pd38  1  0.00976640  0.26084620  0.45849146  1
  Pd  Pd39  1  0.99023231  0.73915508  0.54150048  1
  C  C40  1  0.52640995  0.55399426  0.29815021  1
  C  C41  1  0.47358788  0.44600507  0.70184803  1
  C  C42  1  0.52815146  0.60837991  0.21820137  1
  C  C43  1  0.47184312  0.39161894  0.78179696  1
  C  C44  1  0.51745524  0.70913733  0.22123488  1
  C  C45  1  0.48254222  0.29086147  0.77876315  1
  C  C46  1  0.50889291  0.74905140  0.30731172  1
  C  C47  1  0.49111160  0.25094761  0.69268617  1
  C  C48  1  0.50958455  0.68895750  0.38339884  1
  C  C49  1  0.49042078  0.31104183  0.61659905  1
  C  C50  1  0.51246775  0.76661288  0.14227464  1
  C  C51  1  0.48752332  0.23338535  0.85772346  1
  C  C52  1  0.50599197  0.81606684  0.07139869  1
  C  C53  1  0.49399480  0.18393201  0.92860099  1
  C  C54  1  0.17866717  0.63870476  0.55483200  1
  C  C55  1  0.82132892  0.36129511  0.44516308  1
  C  C56  1  0.19131871  0.16168777  0.48659140  1
  C  C57  1  0.80867979  0.83831473  0.51340221  1
  C  C58  1  0.81746454  0.16094977  0.47459705  1
  C  C59  1  0.18253299  0.83905259  0.52539666  1
  C  C60  1  0.20284500  0.36044128  0.44994537  1
  C  C61  1  0.79715286  0.63955943  0.55005027  1
  C  C62  1  0.65068284  0.99047187  0.68439913  1
  C  C63  1  0.34931495  0.00952981  0.31560266  1
  C  C64  1  0.65500214  0.96557034  0.77487220  1
  C  C65  1  0.34499342  0.03443117  0.22512973  1
  C  C66  1  0.49137639  0.94652951  0.83079389  1
  C  C67  1  0.50861775  0.05347559  0.16920785  1
  C  C68  1  0.32957870  0.96174619  0.79167331  1
  C  C69  1  0.67041718  0.03825929  0.20832736  1
  C  C70  1  0.33814828  0.98655777  0.70041092  1
  C  C71  1  0.66184961  0.01344743  0.29958954  1
  C  C72  1  0.49041126  0.90997143  0.91980459  1
  C  C73  1  0.50957954  0.09003311  0.08019718  1
  C  C74  1  0.49778217  0.86649263  0.99372176  1
  C  C75  1  0.50220481  0.13350864  0.00627881  1
  C  C76  1  0.02213890  0.73543632  0.21140719  1
  C  C77  1  0.97785844  0.26456068  0.78859303  1
  C  C78  1  0.02163153  0.68174391  0.13396251  1
  C  C79  1  0.97837046  0.31825301  0.86603757  1
  C  C80  1  0.02705619  0.58256176  0.14303706  1
  C  C81  1  0.97294772  0.41743532  0.85696308  1
  C  C82  1  0.03334116  0.53659625  0.22823627  1
  C  C83  1  0.96666144  0.46340083  0.77176374  1
  C  C84  1  0.03271199  0.59065166  0.30502485  1
  C  C85  1  0.96728956  0.40934534  0.69497529  1
  C  C86  1  0.02741413  0.68981274  0.29702728  1
  C  C87  1  0.97258493  0.31018448  0.70297279  1
  C  C88  1  0.40630757  0.33829292  0.13354975  1
  C  C89  1  0.59369879  0.66170786  0.86645633  1
  C  C90  1  0.37320516  0.28841084  0.21814596  1
  C  C91  1  0.62680615  0.71159255  0.78186184  1
  C  C92  1  0.51404339  0.27204480  0.26967207  1
  C  C93  1  0.48597257  0.72795948  0.73033262  1
  C  C94  1  0.68800657  0.30268079  0.23688673  1
  C  C95  1  0.31200809  0.69732089  0.76311360  1
  C  C96  1  0.71978850  0.35213705  0.15256121  1
  C  C97  1  0.28022173  0.64786121  0.84743731  1
  C  C98  1  0.57990570  0.37143429  0.10116941  1
  C  C99  1  0.42009976  0.62856403  0.89883187  1
  N  N100  1  0.51595592  0.59225104  0.38040878  1
  N  N101  1  0.48404413  0.40774819  0.61958930  1
  N  N102  1  0.29514749  0.58193841  0.55369194  1
  N  N103  1  0.70484683  0.41806091  0.44630499  1
  N  N104  1  0.30134286  0.10520611  0.50219765  1
  N  N105  1  0.69865593  0.89479728  0.49779783  1
  N  N106  1  0.70159943  0.10406462  0.48543718  1
  N  N107  1  0.29839659  0.89593852  0.51455810  1
  N  N108  1  0.49561352  0.99763639  0.64574539  1
  N  N109  1  0.50438552  0.00236749  0.35425528  1
  N  N110  1  0.31823731  0.41627019  0.45288798  1
  N  N111  1  0.68176162  0.58372970  0.54710992  1
  N  N112  1  0.01663630  0.83859328  0.20369762  1
  N  N113  1  0.98335454  0.16140383  0.79630291  1
  N  N114  1  0.26340380  0.35395329  0.07912327  1
  N  N115  1  0.73659740  0.64604590  0.92088593  1
  O  O116  1  0.01614205  0.88307513  0.27481156  1
  O  O117  1  0.98383656  0.11692208  0.72518950  1
  O  O118  1  0.01279249  0.87801823  0.12748477  1
  O  O119  1  0.98720457  0.12197868  0.87251526  1
  O  O120  1  0.12201565  0.30607678  0.09867512  1
  O  O121  1  0.87798853  0.69392095  0.90133714  1
  O  O122  1  0.28604837  0.41432280  0.01390427  1
  O  O123  1  0.71394631  0.58567591  0.98610414  1
