# generated using pymatgen
data_MnCrH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27288044
_cell_length_b   14.09041501
_cell_length_c   16.08276307
_cell_angle_alpha   101.78057556
_cell_angle_beta   95.39620487
_cell_angle_gamma   90.00259943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH48Pd2(C19N3)4
_chemical_formula_sum   'Mn1 Cr1 H48 Pd2 C76 N12'
_cell_volume   1605.94923208
_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  0.50095183  1.00048046  0.50165617  1
  Cr  Cr1  1  0.49989593  0.49957902  0.49761014  1
  H  H2  1  0.55937222  0.98852926  0.68594756  1
  H  H3  1  0.44130175  0.01151554  0.31529789  1
  H  H4  1  0.56596162  0.09361858  0.82786214  1
  H  H5  1  0.43354335  0.90658811  0.17335607  1
  H  H6  1  0.48472868  0.33797587  0.70571027  1
  H  H7  1  0.51571390  0.66217234  0.29525352  1
  H  H8  1  0.48497393  0.22697709  0.56798161  1
  H  H9  1  0.51587192  0.77299389  0.43281820  1
  H  H10  1  0.77175707  0.52274996  0.36522313  1
  H  H11  1  0.22987215  0.47478360  0.63495650  1
  H  H12  1  0.78029831  0.49275770  0.20885825  1
  H  H13  1  0.22111195  0.50557906  0.79133354  1
  H  H14  1  0.20490008  0.40470222  0.18172062  1
  H  H15  1  0.79398932  0.59681715  0.81819379  1
  H  H16  1  0.21264493  0.44130430  0.33894500  1
  H  H17  1  0.78439004  0.56284106  0.66090478  1
  H  H18  1  0.47384835  0.20362324  0.32155534  1
  H  H19  1  0.52611746  0.79652678  0.67844299  1
  H  H20  1  0.19214899  0.11139972  0.24965624  1
  H  H21  1  0.80772264  0.88865770  0.75045145  1
  H  H22  1  0.16163922  0.05132921  0.09142068  1
  H  H23  1  0.83802937  0.94866357  0.90870624  1
  H  H24  1  0.41255474  0.08669831  0.00585930  1
  H  H25  1  0.58702935  0.91316576  0.99418199  1
  H  H26  1  0.77774750  0.27340038  0.31427517  1
  H  H27  1  0.22250020  0.72634544  0.68563828  1
  H  H28  1  0.03782555  0.29786523  0.23024824  1
  H  H29  1  0.96226504  0.70179452  0.76953274  1
  H  H30  1  0.00171526  0.24525335  0.07092013  1
  H  H31  1  0.99796632  0.75453145  0.92883458  1
  H  H32  1  0.71144674  0.16024342  0.99790767  1
  H  H33  1  0.28808231  0.83954438  0.00200390  1
  H  H34  1  0.11829522  0.15697072  0.95075413  1
  H  H35  1  0.88149501  0.84305954  0.04933100  1
  H  H36  1  0.16627220  0.98667029  0.87625000  1
  H  H37  1  0.83347483  0.01338613  0.12377542  1
  H  H38  1  0.12485754  0.94263538  0.71653400  1
  H  H39  1  0.87491644  0.05749683  0.28347313  1
  H  H40  1  0.03573361  0.06781874  0.63307389  1
  H  H41  1  0.96390797  0.93236424  0.36699616  1
  H  H42  1  0.96361907  0.23587963  0.62783724  1
  H  H43  1  0.03562332  0.76420580  0.37240920  1
  H  H44  1  0.91327423  0.40547069  0.70184275  1
  H  H45  1  0.08650881  0.59473544  0.29837314  1
  H  H46  1  0.94959102  0.44966842  0.86181195  1
  H  H47  1  0.04977339  0.55039692  0.13841427  1
  H  H48  1  0.04043619  0.32415961  0.94558480  1
  H  H49  1  0.95907224  0.67586554  0.05456742  1
  Pd  Pd50  1  0.99367114  0.23275681  0.46288936  1
  Pd  Pd51  1  0.00703166  0.76641156  0.53452222  1
  C  C52  1  0.54148766  0.06603566  0.69110350  1
  C  C53  1  0.45908235  0.93396999  0.31008298  1
  C  C54  1  0.54507673  0.12478087  0.77147498  1
  C  C55  1  0.45496395  0.87526941  0.22961681  1
  C  C56  1  0.52225454  0.22585468  0.78013682  1
  C  C57  1  0.47788311  0.77417307  0.22065203  1
  C  C58  1  0.50070623  0.26101950  0.70342669  1
  C  C59  1  0.49979987  0.73909254  0.29741807  1
  C  C60  1  0.49948943  0.19729114  0.62566529  1
  C  C61  1  0.50127037  0.80289656  0.37523305  1
  C  C62  1  0.52061995  0.28727546  0.86063686  1
  C  C63  1  0.47941984  0.71295986  0.13989953  1
  C  C64  1  0.51366451  0.33471024  0.93453781  1
  C  C65  1  0.48625510  0.66492145  0.06617038  1
  C  C66  1  0.79224759  0.13537855  0.45893456  1
  C  C67  1  0.20967734  0.86417944  0.54220388  1
  C  C68  1  0.19291386  0.33326833  0.47373647  1
  C  C69  1  0.80735371  0.66583259  0.52249939  1
  C  C70  1  0.80962048  0.33912613  0.48119433  1
  C  C71  1  0.19036950  0.65995169  0.51392959  1
  C  C72  1  0.18414828  0.12989860  0.45632778  1
  C  C73  1  0.81732267  0.86985389  0.54479794  1
  C  C74  1  0.64781872  0.49695882  0.32315541  1
  C  C75  1  0.35298741  0.50229336  0.67691484  1
  C  C76  1  0.65385734  0.47926458  0.23570518  1
  C  C77  1  0.34687365  0.52006247  0.76442845  1
  C  C78  1  0.49423626  0.44274735  0.18118592  1
  C  C79  1  0.50568379  0.55757160  0.81907962  1
  C  C80  1  0.33203975  0.43058188  0.22064070  1
  C  C81  1  0.66689164  0.57083357  0.77933784  1
  C  C82  1  0.33733731  0.45154190  0.30880181  1
  C  C83  1  0.66065832  0.55072319  0.69101365  1
  C  C84  1  0.49756115  0.41577071  0.09236271  1
  C  C85  1  0.50231096  0.58432204  0.90810674  1
  C  C86  1  0.50305200  0.38055077  0.01513325  1
  C  C87  1  0.49680502  0.61911006  0.98546953  1
  C  C88  1  0.45933291  0.17708480  0.25259032  1
  C  C89  1  0.54064596  0.82285230  0.74743433  1
  C  C90  1  0.30205503  0.12610408  0.21205778  1
  C  C91  1  0.69783090  0.87387058  0.78803563  1
  C  C92  1  0.28474459  0.09240647  0.12297055  1
  C  C93  1  0.71501403  0.90752642  0.87712785  1
  C  C94  1  0.42421695  0.11112504  0.07510290  1
  C  C95  1  0.57547343  0.88874894  0.92493802  1
  C  C96  1  0.60534297  0.19560257  0.20548978  1
  C  C97  1  0.39460009  0.80425194  0.79447278  1
  C  C98  1  0.76884037  0.24600419  0.24532402  1
  C  C99  1  0.23127592  0.75374352  0.75455418  1
  C  C100  1  0.91078358  0.26153598  0.19775273  1
  C  C101  1  0.08925585  0.73818927  0.80206157  1
  C  C102  1  0.89107441  0.23070405  0.10821824  1
  C  C103  1  0.10872327  0.76907060  0.89159484  1
  C  C104  1  0.73166649  0.18205484  0.06736083  1
  C  C105  1  0.26803733  0.81773986  0.93254838  1
  C  C106  1  0.58715666  0.16217964  0.11478592  1
  C  C107  1  0.41263109  0.83765046  0.88518387  1
  C  C108  1  0.04891396  0.20882331  0.83497816  1
  C  C109  1  0.95071595  0.79125526  0.16514576  1
  C  C110  1  0.09920870  0.13590764  0.88124883  1
  C  C111  1  0.90050344  0.86415164  0.11883555  1
  C  C112  1  0.12581871  0.04158145  0.83936628  1
  C  C113  1  0.87389149  0.95848905  0.16067925  1
  C  C114  1  0.10219582  0.01671068  0.74957389  1
  C  C115  1  0.89749887  0.98340103  0.25046468  1
  C  C116  1  0.05356240  0.08641972  0.70259425  1
  C  C117  1  0.94610168  0.91372127  0.29747973  1
  C  C118  1  0.02684212  0.18350598  0.74369860  1
  C  C119  1  0.97276394  0.81660766  0.25643227  1
  C  C120  1  0.97932028  0.25653017  0.69736546  1
  C  C121  1  0.02015265  0.74364202  0.30283168  1
  C  C122  1  0.95230717  0.35075805  0.73906913  1
  C  C123  1  0.04719296  0.64939897  0.26111425  1
  C  C124  1  0.97320155  0.37563594  0.82897084  1
  C  C125  1  0.02630030  0.62446309  0.17121537  1
  C  C126  1  0.02163052  0.30592983  0.87599475  1
  C  C127  1  0.97790994  0.69413227  0.12415383  1
  N  N128  1  0.51595565  0.09961546  0.61768842  1
  N  N129  1  0.48503603  0.90046052  0.38349836  1
  N  N130  1  0.67529446  0.07987710  0.46360215  1
  N  N131  1  0.32704193  0.92014232  0.53910084  1
  N  N132  1  0.30872790  0.39332156  0.48162978  1
  N  N133  1  0.69110630  0.60585475  0.51374082  1
  N  N134  1  0.70109422  0.40096457  0.49237789  1
  N  N135  1  0.29887167  0.59814120  0.50256824  1
  N  N136  1  0.49273166  0.48299729  0.36074492  1
  N  N137  1  0.50649277  0.51785743  0.63887433  1
  N  N138  1  0.30197319  0.07376154  0.46117099  1
  N  N139  1  0.69975483  0.92644860  0.54145808  1
