# generated using pymatgen
data_MnNiH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27003007
_cell_length_b   14.08531819
_cell_length_c   16.08071450
_cell_angle_alpha   101.77441388
_cell_angle_beta   95.39592687
_cell_angle_gamma   90.00273167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH48Pd2(C19N3)4
_chemical_formula_sum   'Mn1 Ni1 H48 Pd2 C76 N12'
_cell_volume   1604.57175238
_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  0.50095794  0.99994025  0.50116770  1
  Mn  Mn1  1  0.49894433  0.49840217  0.48640222  1
  H  H2  1  0.55953372  0.99014689  0.68471276  1
  H  H3  1  0.44137252  0.01058996  0.31700368  1
  H  H4  1  0.56614403  0.09458709  0.82948448  1
  H  H5  1  0.43335519  0.90601126  0.17230569  1
  H  H6  1  0.48468139  0.33998893  0.70762592  1
  H  H7  1  0.51547749  0.66077566  0.29409590  1
  H  H8  1  0.48532692  0.22571452  0.56870281  1
  H  H9  1  0.51554500  0.77490128  0.43307345  1
  H  H10  1  0.77267142  0.52274214  0.36624352  1
  H  H11  1  0.22932755  0.47524525  0.63638949  1
  H  H12  1  0.77967848  0.49303008  0.20985882  1
  H  H13  1  0.22101029  0.50547568  0.79170230  1
  H  H14  1  0.20532871  0.40454094  0.18279552  1
  H  H15  1  0.79393945  0.59716063  0.81843630  1
  H  H16  1  0.21206169  0.44133867  0.34035536  1
  H  H17  1  0.78428305  0.56332891  0.66198130  1
  H  H18  1  0.47424759  0.20339479  0.32196812  1
  H  H19  1  0.52563260  0.79671495  0.67807873  1
  H  H20  1  0.19235665  0.11147538  0.25013582  1
  H  H21  1  0.80743553  0.88861428  0.74997847  1
  H  H22  1  0.16182913  0.05113382  0.09171628  1
  H  H23  1  0.83782150  0.94886838  0.90839043  1
  H  H24  1  0.41298020  0.08636815  0.00612457  1
  H  H25  1  0.58663218  0.91352248  0.99393177  1
  H  H26  1  0.77836360  0.27247979  0.31448095  1
  H  H27  1  0.22199695  0.72718653  0.68547938  1
  H  H28  1  0.03842777  0.29753038  0.23044590  1
  H  H29  1  0.96167983  0.70202066  0.76936537  1
  H  H30  1  0.00255261  0.24468522  0.07111198  1
  H  H31  1  0.99710460  0.75509478  0.92863744  1
  H  H32  1  0.71307014  0.15946402  0.99816642  1
  H  H33  1  0.28700992  0.84049960  0.00181323  1
  H  H34  1  0.11758242  0.15668936  0.95038377  1
  H  H35  1  0.88220292  0.84335613  0.04970399  1
  H  H36  1  0.16585046  0.98629567  0.87593910  1
  H  H37  1  0.83390332  0.01377517  0.12411756  1
  H  H38  1  0.12501886  0.94225585  0.71606558  1
  H  H39  1  0.87472394  0.05785991  0.28396850  1
  H  H40  1  0.03585144  0.06725986  0.63257066  1
  H  H41  1  0.96382334  0.93290490  0.36751607  1
  H  H42  1  0.96406840  0.23550462  0.62743382  1
  H  H43  1  0.03533658  0.76467770  0.37274057  1
  H  H44  1  0.91352690  0.40527759  0.70146058  1
  H  H45  1  0.08631024  0.59496653  0.29876792  1
  H  H46  1  0.94900970  0.44938014  0.86138217  1
  H  H47  1  0.05019277  0.55067743  0.13878964  1
  H  H48  1  0.03893291  0.32408604  0.94520760  1
  H  H49  1  0.96058495  0.67594450  0.05492758  1
  Pd  Pd50  1  0.99372126  0.24178194  0.46467443  1
  Pd  Pd51  1  0.00841841  0.75702015  0.53406359  1
  C  C52  1  0.54205100  0.06798288  0.69257087  1
  C  C53  1  0.45856427  0.93274289  0.30924948  1
  C  C54  1  0.54525110  0.12605874  0.77331877  1
  C  C55  1  0.45460113  0.87459502  0.22848280  1
  C  C56  1  0.52233519  0.22696926  0.78145192  1
  C  C57  1  0.47743518  0.77366159  0.22030731  1
  C  C58  1  0.50104015  0.26307018  0.70541032  1
  C  C59  1  0.49928488  0.73768036  0.29639058  1
  C  C60  1  0.50032616  0.19881659  0.62765771  1
  C  C61  1  0.50048370  0.80191681  0.37416909  1
  C  C62  1  0.52034711  0.28799159  0.86199753  1
  C  C63  1  0.47903020  0.71229278  0.13986704  1
  C  C64  1  0.51324956  0.33536660  0.93583386  1
  C  C65  1  0.48642949  0.66425602  0.06627535  1
  C  C66  1  0.79544856  0.14181643  0.45859759  1
  C  C67  1  0.20672552  0.85758428  0.54291787  1
  C  C68  1  0.19631078  0.34001706  0.47408833  1
  C  C69  1  0.80428257  0.65869913  0.52021209  1
  C  C70  1  0.80514662  0.34562043  0.48002577  1
  C  C71  1  0.19518156  0.65285042  0.51132619  1
  C  C72  1  0.17918002  0.13642282  0.45577019  1
  C  C73  1  0.82330142  0.86267790  0.54564810  1
  C  C74  1  0.64851253  0.49722655  0.32443683  1
  C  C75  1  0.35397206  0.50257545  0.67741691  1
  C  C76  1  0.65347713  0.47942462  0.23704964  1
  C  C77  1  0.34718204  0.52000909  0.76509531  1
  C  C78  1  0.49425648  0.44270694  0.18237476  1
  C  C79  1  0.50597953  0.55727587  0.81962034  1
  C  C80  1  0.33235750  0.43037887  0.22201612  1
  C  C81  1  0.66672522  0.57085053  0.77978895  1
  C  C82  1  0.33632483  0.45137290  0.31001105  1
  C  C83  1  0.65966818  0.55077110  0.69132223  1
  C  C84  1  0.49763052  0.41580501  0.09367047  1
  C  C85  1  0.50290326  0.58353899  0.90855892  1
  C  C86  1  0.50288375  0.38079125  0.01642999  1
  C  C87  1  0.49747671  0.61833685  0.98582933  1
  C  C88  1  0.45941241  0.17724720  0.25293716  1
  C  C89  1  0.54048760  0.82273420  0.74712916  1
  C  C90  1  0.30217935  0.12625943  0.21246479  1
  C  C91  1  0.69764617  0.87374970  0.78764139  1
  C  C92  1  0.28474312  0.09245936  0.12329668  1
  C  C93  1  0.71497059  0.90749360  0.87681397  1
  C  C94  1  0.42420448  0.11106998  0.07534806  1
  C  C95  1  0.57544748  0.88882204  0.92470977  1
  C  C96  1  0.60543188  0.19565599  0.20568828  1
  C  C97  1  0.39445805  0.80424685  0.79432071  1
  C  C98  1  0.76926188  0.24576135  0.24548286  1
  C  C99  1  0.23081835  0.75401759  0.75442855  1
  C  C100  1  0.91120885  0.26136573  0.19793689  1
  C  C101  1  0.08880518  0.73837658  0.80188374  1
  C  C102  1  0.89160738  0.23039647  0.10838450  1
  C  C103  1  0.10816408  0.76941102  0.89143341  1
  C  C104  1  0.73215236  0.18172892  0.06759558  1
  C  C105  1  0.26750565  0.81808552  0.93240003  1
  C  C106  1  0.58718565  0.16219492  0.11496650  1
  C  C107  1  0.41251993  0.83765709  0.88503762  1
  C  C108  1  0.04849611  0.20842529  0.83457617  1
  C  C109  1  0.95110043  0.79165852  0.16554370  1
  C  C110  1  0.09872890  0.13548226  0.88087679  1
  C  C111  1  0.90095965  0.86458370  0.11921297  1
  C  C112  1  0.12550364  0.04116503  0.83897102  1
  C  C113  1  0.87420550  0.95891125  0.16109439  1
  C  C114  1  0.10217151  0.01632422  0.74908992  1
  C  C115  1  0.89750575  0.98378382  0.25096900  1
  C  C116  1  0.05361717  0.08596738  0.70209449  1
  C  C117  1  0.94604171  0.91416592  0.29799590  1
  C  C118  1  0.02673521  0.18310811  0.74326322  1
  C  C119  1  0.97284578  0.81700718  0.25686029  1
  C  C120  1  0.97935173  0.25623053  0.69695569  1
  C  C121  1  0.02013601  0.74393256  0.30320698  1
  C  C122  1  0.95234960  0.35048438  0.73863802  1
  C  C123  1  0.04720119  0.64966749  0.26152162  1
  C  C124  1  0.97276514  0.37532325  0.82857475  1
  C  C125  1  0.02669393  0.62477167  0.17158055  1
  C  C126  1  0.02090795  0.30557100  0.87560912  1
  C  C127  1  0.97858083  0.69449965  0.12452616  1
  N  N128  1  0.51751311  0.10237013  0.62043825  1
  N  N129  1  0.48356978  0.89836930  0.38139632  1
  N  N130  1  0.68203718  0.08383921  0.46149493  1
  N  N131  1  0.32013779  0.91591653  0.54092939  1
  N  N132  1  0.31437647  0.39841467  0.47920793  1
  N  N133  1  0.68490877  0.59994557  0.50897944  1
  N  N134  1  0.69178254  0.40533236  0.48793688  1
  N  N135  1  0.30673785  0.59292172  0.49709791  1
  N  N136  1  0.49273963  0.48295864  0.36271216  1
  N  N137  1  0.50631743  0.51794123  0.63933534  1
  N  N138  1  0.29151156  0.07698130  0.45750962  1
  N  N139  1  0.71109222  0.92235671  0.54482701  1
