# generated using pymatgen
data_MnNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48520200
_cell_length_b   13.98053144
_cell_length_c   14.88304523
_cell_angle_alpha   87.37729659
_cell_angle_beta   83.15451069
_cell_angle_gamma   89.60649509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH36Pd2C60(N2O)8
_chemical_formula_sum   'Mn1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.74329865
_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  0.49999892  0.49999875  0.49999885  1
  Ni  Ni1  1  0.49999762  0.00000259  0.49999764  1
  H  H2  1  0.53255023  0.47675020  0.29727877  1
  H  H3  1  0.46744908  0.52324873  0.70271925  1
  H  H4  1  0.53793686  0.57440418  0.15374660  1
  H  H5  1  0.46205365  0.42559433  0.84625146  1
  H  H6  1  0.50257244  0.82603707  0.31364340  1
  H  H7  1  0.49743688  0.17396267  0.68635328  1
  H  H8  1  0.50324280  0.71944794  0.44947150  1
  H  H9  1  0.49676721  0.28055168  0.55052593  1
  H  H10  1  0.77459629  0.00378755  0.64025796  1
  H  H11  1  0.22540382  0.99621405  0.35974604  1
  H  H12  1  0.78214284  0.96071830  0.80239009  1
  H  H13  1  0.21785142  0.03927927  0.19761124  1
  H  H14  1  0.20092184  0.95369399  0.83240769  1
  H  H15  1  0.79907218  0.04631129  0.16759120  1
  H  H16  1  0.21623256  0.99674016  0.66879775  1
  H  H17  1  0.78376618  0.00326748  0.33120239  1
  H  H18  1  0.01578184  0.71802351  0.06869015  1
  H  H19  1  0.98421999  0.28197272  0.93130952  1
  H  H20  1  0.02602844  0.54055106  0.08369195  1
  H  H21  1  0.97397720  0.45944614  0.91630766  1
  H  H22  1  0.03741019  0.45855111  0.23541508  1
  H  H23  1  0.96259267  0.54144586  0.76458500  1
  H  H24  1  0.03587786  0.55481039  0.37143399  1
  H  H25  1  0.96412462  0.44518637  0.62856625  1
  H  H26  1  0.02720804  0.73291319  0.35599008  1
  H  H27  1  0.97278989  0.26708330  0.64401076  1
  H  H28  1  0.23813541  0.26370906  0.24221772  1
  H  H29  1  0.76187665  0.73629486  0.75779235  1
  H  H30  1  0.48925430  0.23498337  0.33609740  1
  H  H31  1  0.51076544  0.76502179  0.66390808  1
  H  H32  1  0.79875019  0.28858936  0.27758096  1
  H  H33  1  0.20126749  0.71141199  0.72241739  1
  H  H34  1  0.85523636  0.37519288  0.12673337  1
  H  H35  1  0.14477406  0.62480168  0.87326091  1
  H  H36  1  0.60204908  0.41007222  0.03611841  1
  H  H37  1  0.39795317  0.58992244  0.96388073  1
  Pd  Pd38  1  0.00915879  0.25771214  0.45932231  1
  Pd  Pd39  1  0.99084021  0.74228869  0.54066934  1
  C  C40  1  0.52655134  0.55436175  0.29805531  1
  C  C41  1  0.47344619  0.44563711  0.70194315  1
  C  C42  1  0.52814710  0.60852698  0.21805005  1
  C  C43  1  0.47184698  0.39147164  0.78194820  1
  C  C44  1  0.51762647  0.70926552  0.22103632  1
  C  C45  1  0.48237209  0.29073311  0.77896152  1
  C  C46  1  0.50899324  0.74920124  0.30700249  1
  C  C47  1  0.49101112  0.25079785  0.69299559  1
  C  C48  1  0.50954791  0.68932493  0.38313316  1
  C  C49  1  0.49045737  0.31067423  0.61686483  1
  C  C50  1  0.51239506  0.76673084  0.14221812  1
  C  C51  1  0.48759720  0.23326688  0.85778073  1
  C  C52  1  0.50571444  0.81614860  0.07142173  1
  C  C53  1  0.49427102  0.18385027  0.92857771  1
  C  C54  1  0.17585837  0.64094279  0.55560738  1
  C  C55  1  0.82413576  0.35905628  0.44438704  1
  C  C56  1  0.19370360  0.15945778  0.48717061  1
  C  C57  1  0.80629657  0.84054452  0.51282269  1
  C  C58  1  0.81416973  0.15846864  0.47522637  1
  C  C59  1  0.18582690  0.84153379  0.52476668  1
  C  C60  1  0.20020767  0.35831684  0.44911319  1
  C  C61  1  0.79979045  0.64168402  0.55088226  1
  C  C62  1  0.64964863  0.99041843  0.68397167  1
  C  C63  1  0.35034958  0.00958329  0.31603042  1
  C  C64  1  0.65479699  0.96572524  0.77462604  1
  C  C65  1  0.34519763  0.03427609  0.22537621  1
  C  C66  1  0.49153902  0.94676826  0.83065809  1
  C  C67  1  0.50845438  0.05323722  0.16934394  1
  C  C68  1  0.33008658  0.96192885  0.79130538  1
  C  C69  1  0.66990864  0.03807743  0.20869510  1
  C  C70  1  0.33950600  0.98648566  0.69981294  1
  C  C71  1  0.66049239  0.01351968  0.30018734  1
  C  C72  1  0.49074230  0.90967818  0.91964573  1
  C  C73  1  0.50925271  0.09032807  0.08035626  1
  C  C74  1  0.49763021  0.86632150  0.99354013  1
  C  C75  1  0.50235524  0.13367891  0.00646034  1
  C  C76  1  0.02228249  0.73552851  0.21163768  1
  C  C77  1  0.97771600  0.26446833  0.78836273  1
  C  C78  1  0.02189303  0.68168281  0.13431259  1
  C  C79  1  0.97810994  0.31831407  0.86568744  1
  C  C80  1  0.02707202  0.58253129  0.14337617  1
  C  C81  1  0.97293134  0.41746565  0.85662373  1
  C  C82  1  0.03315398  0.53646506  0.22854114  1
  C  C83  1  0.96684755  0.46353188  0.77145891  1
  C  C84  1  0.03267612  0.59065341  0.30518735  1
  C  C85  1  0.96732520  0.40934345  0.69481277  1
  C  C86  1  0.02732724  0.68976303  0.29717040  1
  C  C87  1  0.97267295  0.31023392  0.70282988  1
  C  C88  1  0.40606300  0.33827871  0.13369091  1
  C  C89  1  0.59394436  0.66172280  0.86631523  1
  C  C90  1  0.37333827  0.28858625  0.21837191  1
  C  C91  1  0.62667281  0.71141797  0.78163566  1
  C  C92  1  0.51419023  0.27221057  0.26987202  1
  C  C93  1  0.48582449  0.72779390  0.73013309  1
  C  C94  1  0.68815610  0.30279416  0.23717038  1
  C  C95  1  0.31185822  0.69720787  0.76283060  1
  C  C96  1  0.71959344  0.35236434  0.15288864  1
  C  C97  1  0.28041709  0.64763405  0.84711029  1
  C  C98  1  0.57972703  0.37144882  0.10144843  1
  C  C99  1  0.42027931  0.62854989  0.89855299  1
  N  N100  1  0.51604190  0.59279459  0.38013021  1
  N  N101  1  0.48395854  0.40720464  0.61986772  1
  N  N102  1  0.28887615  0.58273167  0.55896367  1
  N  N103  1  0.71111828  0.41726820  0.44103451  1
  N  N104  1  0.30498349  0.10328945  0.50160608  1
  N  N105  1  0.69501696  0.89671414  0.49838968  1
  N  N106  1  0.69744178  0.10200725  0.48557514  1
  N  N107  1  0.30255297  0.89799627  0.51442008  1
  N  N108  1  0.49585032  0.99771136  0.64517815  1
  N  N109  1  0.50414940  0.00229251  0.35482237  1
  N  N110  1  0.31449786  0.41538873  0.44888684  1
  N  N111  1  0.68550171  0.58461094  0.55111063  1
  N  N112  1  0.01683810  0.83852158  0.20376418  1
  N  N113  1  0.98315294  0.16147529  0.79623615  1
  N  N114  1  0.26343245  0.35372289  0.07931886  1
  N  N115  1  0.73656864  0.64627620  0.92069053  1
  O  O116  1  0.01635357  0.88296308  0.27486074  1
  O  O117  1  0.98362138  0.11703390  0.72514038  1
  O  O118  1  0.01291931  0.87764738  0.12749110  1
  O  O119  1  0.98707853  0.12234925  0.87250857  1
  O  O120  1  0.12273882  0.30528590  0.09862868  1
  O  O121  1  0.87726548  0.69471122  0.90138325  1
  O  O122  1  0.28595560  0.41452390  0.01444224  1
  O  O123  1  0.71403806  0.58547493  0.98556669  1
