# generated using pymatgen
data_MnNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48529301
_cell_length_b   13.98049756
_cell_length_c   14.88294775
_cell_angle_alpha   87.37777926
_cell_angle_beta   83.15454724
_cell_angle_gamma   89.60600681
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH36Pd2C60(N2O)8
_chemical_formula_sum   'Mn1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.74891251
_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  0.49999815  0.49999876  0.49999883  1
  Mn  Mn1  1  0.49999780  0.00000253  0.49999763  1
  H  H2  1  0.53257504  0.47700919  0.29779178  1
  H  H3  1  0.46742424  0.52298974  0.70220631  1
  H  H4  1  0.53791530  0.57449457  0.15391125  1
  H  H5  1  0.46207513  0.42550413  0.84608683  1
  H  H6  1  0.50260772  0.82582492  0.31352046  1
  H  H7  1  0.49740152  0.17417486  0.68647609  1
  H  H8  1  0.50323772  0.71878937  0.44935615  1
  H  H9  1  0.49677244  0.28120997  0.55064127  1
  H  H10  1  0.77601236  0.00378490  0.64061203  1
  H  H11  1  0.22398636  0.99621657  0.35939139  1
  H  H12  1  0.78256238  0.96072671  0.80244035  1
  H  H13  1  0.21743280  0.03927080  0.19756120  1
  H  H14  1  0.20046184  0.95368489  0.83250913  1
  H  H15  1  0.79953202  0.04632028  0.16748993  1
  H  H16  1  0.21478087  0.99673031  0.66930706  1
  H  H17  1  0.78521868  0.00327697  0.33069284  1
  H  H18  1  0.01577718  0.71801890  0.06870634  1
  H  H19  1  0.98422458  0.28197730  0.93129323  1
  H  H20  1  0.02602965  0.54056315  0.08371628  1
  H  H21  1  0.97397593  0.45943403  0.91628335  1
  H  H22  1  0.03737099  0.45854827  0.23545664  1
  H  H23  1  0.96263190  0.54144875  0.76454342  1
  H  H24  1  0.03583518  0.55475525  0.37150403  1
  H  H25  1  0.96416730  0.44524148  0.62849627  1
  H  H26  1  0.02721681  0.73286649  0.35600183  1
  H  H27  1  0.97278114  0.26713003  0.64399892  1
  H  H28  1  0.23814337  0.26374582  0.24223118  1
  H  H29  1  0.76186883  0.73625816  0.75777884  1
  H  H30  1  0.48919058  0.23523566  0.33614691  1
  H  H31  1  0.51082907  0.76476958  0.66385868  1
  H  H32  1  0.79870161  0.28867387  0.27759440  1
  H  H33  1  0.20131578  0.71132778  0.72240444  1
  H  H34  1  0.85523155  0.37520724  0.12672442  1
  H  H35  1  0.14477887  0.62478730  0.87326987  1
  H  H36  1  0.60205007  0.41007431  0.03611496  1
  H  H37  1  0.39795223  0.58992038  0.96388412  1
  Pd  Pd38  1  0.00943172  0.25920696  0.45894591  1
  Pd  Pd39  1  0.99056770  0.74079419  0.54104566  1
  C  C40  1  0.52645045  0.55453266  0.29861581  1
  C  C41  1  0.47354716  0.44546617  0.70138264  1
  C  C42  1  0.52808658  0.60854717  0.21827701  1
  C  C43  1  0.47190759  0.39145128  0.78172120  1
  C  C44  1  0.51761622  0.70917886  0.22111963  1
  C  C45  1  0.48238239  0.29081962  0.77887799  1
  C  C46  1  0.50897951  0.74891973  0.30708818  1
  C  C47  1  0.49102485  0.25107930  0.69290962  1
  C  C48  1  0.50953234  0.68853431  0.38315160  1
  C  C49  1  0.49047288  0.31146491  0.61684628  1
  C  C50  1  0.51240400  0.76669843  0.14221832  1
  C  C51  1  0.48758813  0.23329945  0.85778083  1
  C  C52  1  0.50572014  0.81613774  0.07141589  1
  C  C53  1  0.49426535  0.18386119  0.92858357  1
  C  C54  1  0.17694183  0.63964118  0.55606464  1
  C  C55  1  0.82305198  0.36035770  0.44392925  1
  C  C56  1  0.19243980  0.16061092  0.48658419  1
  C  C57  1  0.80756029  0.83939149  0.51340908  1
  C  C58  1  0.81586519  0.15979182  0.47494147  1
  C  C59  1  0.18413232  0.84021051  0.52505144  1
  C  C60  1  0.20166284  0.35968693  0.44864498  1
  C  C61  1  0.79833587  0.64031404  0.55135048  1
  C  C62  1  0.65082762  0.99037290  0.68432466  1
  C  C63  1  0.34916972  0.00962855  0.31567764  1
  C  C64  1  0.65522140  0.96577830  0.77478803  1
  C  C65  1  0.34477357  0.03422304  0.22521451  1
  C  C66  1  0.49151526  0.94675039  0.83066636  1
  C  C67  1  0.50847811  0.05325493  0.16933566  1
  C  C68  1  0.32966114  0.96195647  0.79155036  1
  C  C69  1  0.67033397  0.03804976  0.20845049  1
  C  C70  1  0.33831951  0.98641749  0.70027806  1
  C  C71  1  0.66167911  0.01358784  0.29972240  1
  C  C72  1  0.49073103  0.90969541  0.91957724  1
  C  C73  1  0.50926350  0.09031101  0.08042482  1
  C  C74  1  0.49764026  0.86632914  0.99350089  1
  C  C75  1  0.50234524  0.13367116  0.00649954  1
  C  C76  1  0.02228975  0.73550763  0.21165864  1
  C  C77  1  0.97770870  0.26448915  0.78834179  1
  C  C78  1  0.02190335  0.68166926  0.13432839  1
  C  C79  1  0.97809965  0.31832768  0.86567165  1
  C  C80  1  0.02707587  0.58251995  0.14341459  1
  C  C81  1  0.97292744  0.41747709  0.85658536  1
  C  C82  1  0.03314605  0.53645683  0.22859039  1
  C  C83  1  0.96685548  0.46354010  0.77140965  1
  C  C84  1  0.03265198  0.59061039  0.30524570  1
  C  C85  1  0.96734935  0.40938642  0.69475441  1
  C  C86  1  0.02732346  0.68971372  0.29719721  1
  C  C87  1  0.97267672  0.31028321  0.70280307  1
  C  C88  1  0.40606596  0.33828880  0.13367485  1
  C  C89  1  0.59394148  0.66171273  0.86633130  1
  C  C90  1  0.37334387  0.28859691  0.21835683  1
  C  C91  1  0.62666734  0.71140733  0.78165083  1
  C  C92  1  0.51420678  0.27223253  0.26982972  1
  C  C93  1  0.48580810  0.72777203  0.73017555  1
  C  C94  1  0.68816289  0.30282305  0.23714219  1
  C  C95  1  0.31185148  0.69717910  0.76285899  1
  C  C96  1  0.71959916  0.35237424  0.15286569  1
  C  C97  1  0.28041133  0.64762413  0.84713330  1
  C  C98  1  0.57973422  0.37144460  0.10143332  1
  C  C99  1  0.42027222  0.62855412  0.89856806  1
  N  N100  1  0.51593168  0.59241755  0.38049429  1
  N  N101  1  0.48406866  0.40758177  0.61950366  1
  N  N102  1  0.29190882  0.58220909  0.55639041  1
  N  N103  1  0.70808532  0.41779030  0.44360708  1
  N  N104  1  0.30272003  0.10444806  0.50253543  1
  N  N105  1  0.69728063  0.89555553  0.49745980  1
  N  N106  1  0.69964036  0.10311768  0.48544290  1
  N  N107  1  0.30035425  0.89688638  0.51455237  1
  N  N108  1  0.49581668  0.99743192  0.64580506  1
  N  N109  1  0.50418302  0.00257164  0.35419563  1
  N  N110  1  0.31620953  0.41596847  0.45104453  1
  N  N111  1  0.68378959  0.58403145  0.54895340  1
  N  N112  1  0.01683642  0.83851724  0.20376163  1
  N  N113  1  0.98315456  0.16147966  0.79623878  1
  N  N114  1  0.26343679  0.35372244  0.07931840  1
  N  N115  1  0.73656431  0.64627670  0.92069099  1
  O  O116  1  0.01640714  0.88298751  0.27485619  1
  O  O117  1  0.98356843  0.11700961  0.72514488  1
  O  O118  1  0.01290823  0.87766648  0.12749903  1
  O  O119  1  0.98708949  0.12233019  0.87250070  1
  O  O120  1  0.12276122  0.30526489  0.09862617  1
  O  O121  1  0.87724303  0.69473223  0.90138582  1
  O  O122  1  0.28595157  0.41451298  0.01443991  1
  O  O123  1  0.71404209  0.58548581  0.98556902  1
