# generated using pymatgen
data_MnFeH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26946819
_cell_length_b   14.08438520
_cell_length_c   16.08079637
_cell_angle_alpha   101.77318333
_cell_angle_beta   95.39600130
_cell_angle_gamma   90.00187442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH48Pd2(C19N3)4
_chemical_formula_sum   'Mn1 Fe1 H48 Pd2 C76 N12'
_cell_volume   1604.35716046
_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  0.49971049  1.00091131  0.50075512  1
  Mn  Mn1  1  0.49901057  0.49829341  0.48623304  1
  H  H2  1  0.55976175  0.98976088  0.68615258  1
  H  H3  1  0.44107126  0.01096745  0.31558497  1
  H  H4  1  0.56628713  0.09454471  0.82949335  1
  H  H5  1  0.43322683  0.90602480  0.17224379  1
  H  H6  1  0.48466444  0.33991376  0.70728360  1
  H  H7  1  0.51545814  0.66087263  0.29445235  1
  H  H8  1  0.48524224  0.22778391  0.56937854  1
  H  H9  1  0.51568291  0.77283942  0.43237368  1
  H  H10  1  0.77307747  0.52269330  0.36614691  1
  H  H11  1  0.22909196  0.47528775  0.63658772  1
  H  H12  1  0.77963484  0.49302270  0.20985670  1
  H  H13  1  0.22100330  0.50547014  0.79167793  1
  H  H14  1  0.20539126  0.40456792  0.18282584  1
  H  H15  1  0.79393901  0.59713354  0.81831958  1
  H  H16  1  0.21171220  0.44127907  0.34024886  1
  H  H17  1  0.78460806  0.56344838  0.66227927  1
  H  H18  1  0.47408270  0.20381404  0.32176876  1
  H  H19  1  0.52595121  0.79628899  0.67826759  1
  H  H20  1  0.19233068  0.11156679  0.25002085  1
  H  H21  1  0.80750685  0.88853410  0.75008309  1
  H  H22  1  0.16188808  0.05111518  0.09161192  1
  H  H23  1  0.83782359  0.94890285  0.90850254  1
  H  H24  1  0.41254672  0.08621639  0.00610264  1
  H  H25  1  0.58710583  0.91368501  0.99396351  1
  H  H26  1  0.77832784  0.27251429  0.31451224  1
  H  H27  1  0.22161337  0.72707464  0.68547605  1
  H  H28  1  0.03840845  0.29755242  0.23050409  1
  H  H29  1  0.96178559  0.70200692  0.76931139  1
  H  H30  1  0.00262108  0.24467526  0.07109419  1
  H  H31  1  0.99707580  0.75511458  0.92866757  1
  H  H32  1  0.71314641  0.15946419  0.99814567  1
  H  H33  1  0.28643682  0.84037564  0.00179215  1
  H  H34  1  0.11758800  0.15666257  0.95047567  1
  H  H35  1  0.88220218  0.84338773  0.04962782  1
  H  H36  1  0.16581904  0.98633751  0.87608939  1
  H  H37  1  0.83394625  0.01371504  0.12396635  1
  H  H38  1  0.12469094  0.94223591  0.71618992  1
  H  H39  1  0.87506422  0.05786454  0.28381393  1
  H  H40  1  0.03594395  0.06749978  0.63277594  1
  H  H41  1  0.96368840  0.93262685  0.36731960  1
  H  H42  1  0.96397115  0.23559703  0.62745607  1
  H  H43  1  0.03519624  0.76459887  0.37273136  1
  H  H44  1  0.91354490  0.40532592  0.70152066  1
  H  H45  1  0.08622895  0.59489922  0.29870521  1
  H  H46  1  0.94896755  0.44946540  0.86137295  1
  H  H47  1  0.05022057  0.55058877  0.13878454  1
  H  H48  1  0.03888027  0.32413291  0.94526437  1
  H  H49  1  0.96063836  0.67590316  0.05486982  1
  Pd  Pd50  1  0.99439313  0.24016742  0.46529793  1
  Pd  Pd51  1  0.00801639  0.75836575  0.53328477  1
  C  C52  1  0.54206388  0.06752827  0.69287024  1
  C  C53  1  0.45850489  0.93316417  0.30888631  1
  C  C54  1  0.54525065  0.12586639  0.77328235  1
  C  C55  1  0.45461886  0.87477594  0.22846415  1
  C  C56  1  0.52232770  0.22693984  0.78144238  1
  C  C57  1  0.47744414  0.77369635  0.22030352  1
  C  C58  1  0.50107279  0.26300303  0.70520546  1
  C  C59  1  0.49927519  0.73777141  0.29658764  1
  C  C60  1  0.50022781  0.19906382  0.62753289  1
  C  C61  1  0.50061311  0.80170243  0.37429100  1
  C  C62  1  0.52040915  0.28804274  0.86187731  1
  C  C63  1  0.47895117  0.71217444  0.13999958  1
  C  C64  1  0.51326392  0.33535102  0.93576916  1
  C  C65  1  0.48640963  0.66430497  0.06632847  1
  C  C66  1  0.79439880  0.14049260  0.45988021  1
  C  C67  1  0.20766245  0.85876863  0.54171389  1
  C  C68  1  0.19596543  0.33944665  0.47397941  1
  C  C69  1  0.80456980  0.65930334  0.52013732  1
  C  C70  1  0.80556466  0.34470787  0.47972488  1
  C  C71  1  0.19508558  0.65347575  0.51147818  1
  C  C72  1  0.18213810  0.13501046  0.45763881  1
  C  C73  1  0.82063644  0.86398604  0.54394916  1
  C  C74  1  0.64858108  0.49727000  0.32452664  1
  C  C75  1  0.35403900  0.50254659  0.67733670  1
  C  C76  1  0.65353758  0.47943373  0.23713268  1
  C  C77  1  0.34719505  0.51999110  0.76502050  1
  C  C78  1  0.49428607  0.44266970  0.18244715  1
  C  C79  1  0.50590050  0.55730299  0.81961891  1
  C  C80  1  0.33234594  0.43034429  0.22213541  1
  C  C81  1  0.66660638  0.57084596  0.77970863  1
  C  C82  1  0.33625935  0.45135274  0.31011657  1
  C  C83  1  0.65960545  0.55074997  0.69124288  1
  C  C84  1  0.49762876  0.41582392  0.09367332  1
  C  C85  1  0.50293746  0.58352146  0.90857442  1
  C  C86  1  0.50283799  0.38075635  0.01640250  1
  C  C87  1  0.49754462  0.61835180  0.98587245  1
  C  C88  1  0.45927377  0.17736853  0.25278106  1
  C  C89  1  0.54068020  0.82261815  0.74727629  1
  C  C90  1  0.30196227  0.12634997  0.21228224  1
  C  C91  1  0.69791977  0.87366884  0.78782090  1
  C  C92  1  0.28472064  0.09249463  0.12318205  1
  C  C93  1  0.71505985  0.90747564  0.87692497  1
  C  C94  1  0.42435621  0.11111867  0.07530595  1
  C  C95  1  0.57538393  0.88879882  0.92475765  1
  C  C96  1  0.60546003  0.19568153  0.20565640  1
  C  C97  1  0.39447134  0.80423179  0.79434284  1
  C  C98  1  0.76929585  0.24575149  0.24549278  1
  C  C99  1  0.23081840  0.75403750  0.75442777  1
  C  C100  1  0.91130975  0.26133651  0.19792499  1
  C  C101  1  0.08876787  0.73842037  0.80190584  1
  C  C102  1  0.89173502  0.23040097  0.10839144  1
  C  C103  1  0.10808200  0.76941300  0.89144038  1
  C  C104  1  0.73229158  0.18166953  0.06759732  1
  C  C105  1  0.26742673  0.81815479  0.93234604  1
  C  C106  1  0.58732747  0.16217236  0.11494955  1
  C  C107  1  0.41247412  0.83769929  0.88504752  1
  C  C108  1  0.04847149  0.20848645  0.83468740  1
  C  C109  1  0.95113331  0.79158843  0.16543692  1
  C  C110  1  0.09866545  0.13552054  0.88095551  1
  C  C111  1  0.90102895  0.86453844  0.11914695  1
  C  C112  1  0.12545168  0.04116069  0.83906360  1
  C  C113  1  0.87426826  0.95890583  0.16100717  1
  C  C114  1  0.10209496  0.01632816  0.74924722  1
  C  C115  1  0.89760573  0.98375994  0.25081259  1
  C  C116  1  0.05367138  0.08611122  0.70230234  1
  C  C117  1  0.94599875  0.91400846  0.29779451  1
  C  C118  1  0.02677927  0.18321628  0.74339200  1
  C  C119  1  0.97282253  0.81688922  0.25673601  1
  C  C120  1  0.97939916  0.25626007  0.69701586  1
  C  C121  1  0.02008702  0.74390060  0.30315500  1
  C  C122  1  0.95235942  0.35053213  0.73870779  1
  C  C123  1  0.04718906  0.64961303  0.26145002  1
  C  C124  1  0.97277457  0.37539616  0.82860549  1
  C  C125  1  0.02669494  0.62469361  0.17154653  1
  C  C126  1  0.02086893  0.30561689  0.87566490  1
  C  C127  1  0.97862040  0.69445239  0.12446992  1
  N  N128  1  0.51712808  0.10198432  0.62017917  1
  N  N129  1  0.48362610  0.89873710  0.38162467  1
  N  N130  1  0.67949426  0.08312549  0.46282563  1
  N  N131  1  0.32184128  0.91690254  0.53975145  1
  N  N132  1  0.31370469  0.39808300  0.47916793  1
  N  N133  1  0.68581038  0.60021386  0.50913013  1
  N  N134  1  0.69285063  0.40478429  0.48773234  1
  N  N135  1  0.30610102  0.59322144  0.49735566  1
  N  N136  1  0.49278573  0.48304282  0.36289310  1
  N  N137  1  0.50641430  0.51785485  0.63915703  1
  N  N138  1  0.29603793  0.07625636  0.45965350  1
  N  N139  1  0.70744605  0.92331032  0.54305268  1
