# generated using pymatgen
data_VFeH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26972447
_cell_length_b   14.08466592
_cell_length_c   16.08199500
_cell_angle_alpha   101.77443654
_cell_angle_beta   95.39692674
_cell_angle_gamma   90.00364860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH48Pd2(C19N3)4
_chemical_formula_sum   'V1 Fe1 H48 Pd2 C76 N12'
_cell_volume   1604.55434562
_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
  V  V0  1  0.50028927  1.00045395  0.50104138  1
  Fe  Fe1  1  0.49959101  0.49922052  0.49407591  1
  H  H2  1  0.55896440  0.98899326  0.68489585  1
  H  H3  1  0.44187193  0.01156357  0.31681766  1
  H  H4  1  0.56637677  0.09426663  0.82916020  1
  H  H5  1  0.43312255  0.90624784  0.17252757  1
  H  H6  1  0.48475538  0.33949080  0.70706678  1
  H  H7  1  0.51546754  0.66113941  0.29455341  1
  H  H8  1  0.48498060  0.22668557  0.56820020  1
  H  H9  1  0.51583327  0.77381205  0.43339615  1
  H  H10  1  0.77173203  0.52227945  0.36508866  1
  H  H11  1  0.22957442  0.47536493  0.63639625  1
  H  H12  1  0.78045509  0.49296827  0.20843182  1
  H  H13  1  0.22068600  0.50549276  0.79214735  1
  H  H14  1  0.20503299  0.40431489  0.18153184  1
  H  H15  1  0.79435766  0.59734843  0.81882257  1
  H  H16  1  0.21333249  0.44098063  0.33916008  1
  H  H17  1  0.78390672  0.56345243  0.66222915  1
  H  H18  1  0.47398932  0.20415467  0.32167159  1
  H  H19  1  0.52592730  0.79599108  0.67837890  1
  H  H20  1  0.19221862  0.11171308  0.25005574  1
  H  H21  1  0.80761661  0.88839214  0.75007597  1
  H  H22  1  0.16194569  0.05104381  0.09153546  1
  H  H23  1  0.83775088  0.94898392  0.90859352  1
  H  H24  1  0.41282347  0.08623451  0.00612641  1
  H  H25  1  0.58682307  0.91366877  0.99394865  1
  H  H26  1  0.77788052  0.27268240  0.31445036  1
  H  H27  1  0.22204258  0.72704243  0.68551205  1
  H  H28  1  0.03842584  0.29760553  0.23057730  1
  H  H29  1  0.96174113  0.70201039  0.76924527  1
  H  H30  1  0.00274227  0.24463433  0.07110427  1
  H  H31  1  0.99696092  0.75516873  0.92868188  1
  H  H32  1  0.71309418  0.15937619  0.99819469  1
  H  H33  1  0.28652013  0.84047892  0.00177241  1
  H  H34  1  0.11752306  0.15670805  0.95049698  1
  H  H35  1  0.88226531  0.84335076  0.04960360  1
  H  H36  1  0.16584023  0.98639767  0.87623446  1
  H  H37  1  0.83391627  0.01366916  0.12383684  1
  H  H38  1  0.12428311  0.94220460  0.71623311  1
  H  H39  1  0.87546990  0.05789867  0.28380358  1
  H  H40  1  0.03597592  0.06769131  0.63288636  1
  H  H41  1  0.96375152  0.93244697  0.36720495  1
  H  H42  1  0.96393512  0.23553881  0.62756336  1
  H  H43  1  0.03521436  0.76457409  0.37261169  1
  H  H44  1  0.91341339  0.40537476  0.70154643  1
  H  H45  1  0.08621479  0.59485013  0.29870028  1
  H  H46  1  0.94892926  0.44949340  0.86139469  1
  H  H47  1  0.05027438  0.55053115  0.13879625  1
  H  H48  1  0.03879220  0.32407121  0.94527973  1
  H  H49  1  0.96074706  0.67594037  0.05485056  1
  Pd  Pd50  1  0.99396717  0.24142892  0.46497173  1
  Pd  Pd51  1  0.00766777  0.75752564  0.53293614  1
  C  C52  1  0.54196992  0.06691401  0.69251736  1
  C  C53  1  0.45871905  0.93361277  0.30915627  1
  C  C54  1  0.54528093  0.12541589  0.77282944  1
  C  C55  1  0.45462691  0.87506082  0.22880673  1
  C  C56  1  0.52234378  0.22644046  0.78087186  1
  C  C57  1  0.47748543  0.77398996  0.22064901  1
  C  C58  1  0.50105923  0.26254902  0.70465321  1
  C  C59  1  0.49933303  0.73805023  0.29694043  1
  C  C60  1  0.49996194  0.19912042  0.62690484  1
  C  C61  1  0.50087868  0.80149236  0.37474121  1
  C  C62  1  0.52053026  0.28784441  0.86113463  1
  C  C63  1  0.47892862  0.71236996  0.14032391  1
  C  C64  1  0.51332478  0.33503124  0.93501180  1
  C  C65  1  0.48638870  0.66452668  0.06665320  1
  C  C66  1  0.79476221  0.14276342  0.45942613  1
  C  C67  1  0.20719602  0.85692695  0.54210051  1
  C  C68  1  0.19401396  0.34049560  0.47378290  1
  C  C69  1  0.80588740  0.65852751  0.52000682  1
  C  C70  1  0.80692867  0.34583949  0.47910300  1
  C  C71  1  0.19309722  0.65277312  0.51206845  1
  C  C72  1  0.18061814  0.13712825  0.45676923  1
  C  C73  1  0.82164973  0.86213468  0.54462876  1
  C  C74  1  0.64782647  0.49694353  0.32287010  1
  C  C75  1  0.35349396  0.50247411  0.67792600  1
  C  C76  1  0.65423335  0.47941221  0.23551036  1
  C  C77  1  0.34683227  0.51996509  0.76550387  1
  C  C78  1  0.49440805  0.44265309  0.18137400  1
  C  C79  1  0.50594348  0.55734271  0.81994309  1
  C  C80  1  0.33218924  0.43003638  0.22058560  1
  C  C81  1  0.66703764  0.57103368  0.78027230  1
  C  C82  1  0.33754837  0.45101064  0.30865264  1
  C  C83  1  0.65993681  0.55093513  0.69195572  1
  C  C84  1  0.49734920  0.41581999  0.09266762  1
  C  C85  1  0.50309420  0.58356321  0.90892510  1
  C  C86  1  0.50266811  0.38061514  0.01553245  1
  C  C87  1  0.49765589  0.61848496  0.98617829  1
  C  C88  1  0.45922574  0.17740849  0.25271625  1
  C  C89  1  0.54073897  0.82255362  0.74735308  1
  C  C90  1  0.30192171  0.12637945  0.21228791  1
  C  C91  1  0.69796579  0.87362419  0.78783529  1
  C  C92  1  0.28468176  0.09249667  0.12318573  1
  C  C93  1  0.71508855  0.90747616  0.87693605  1
  C  C94  1  0.42429837  0.11111940  0.07531094  1
  C  C95  1  0.57542558  0.88879568  0.92476337  1
  C  C96  1  0.60548066  0.19564826  0.20560147  1
  C  C97  1  0.39446428  0.80424988  0.79440549  1
  C  C98  1  0.76926525  0.24573543  0.24546715  1
  C  C99  1  0.23080971  0.75406061  0.75445591  1
  C  C100  1  0.91137167  0.26132710  0.19797133  1
  C  C101  1  0.08869623  0.73842772  0.80188367  1
  C  C102  1  0.89185344  0.23038171  0.10843120  1
  C  C103  1  0.10798496  0.76942507  0.89142245  1
  C  C104  1  0.73246217  0.18159708  0.06762738  1
  C  C105  1  0.26725638  0.81822244  0.93234066  1
  C  C106  1  0.58739396  0.16212052  0.11492922  1
  C  C107  1  0.41240922  0.83774493  0.88508726  1
  C  C108  1  0.04842286  0.20854138  0.83475516  1
  C  C109  1  0.95117823  0.79152729  0.16536065  1
  C  C110  1  0.09861340  0.13555720  0.88100521  1
  C  C111  1  0.90108102  0.86450531  0.11909450  1
  C  C112  1  0.12546438  0.04119834  0.83916540  1
  C  C113  1  0.87424520  0.95887200  0.16091257  1
  C  C114  1  0.10198869  0.01633135  0.74934261  1
  C  C115  1  0.89770253  0.98376810  0.25072823  1
  C  C116  1  0.05364936  0.08614598  0.70242655  1
  C  C117  1  0.94604283  0.91397678  0.29766728  1
  C  C118  1  0.02680122  0.18325781  0.74349364  1
  C  C119  1  0.97278984  0.81684472  0.25662653  1
  C  C120  1  0.97942097  0.25630272  0.69709783  1
  C  C121  1  0.02002762  0.74384659  0.30305823  1
  C  C122  1  0.95227898  0.35056725  0.73872128  1
  C  C123  1  0.04720443  0.64956356  0.26142954  1
  C  C124  1  0.97280619  0.37543849  0.82862977  1
  C  C125  1  0.02664411  0.62463281  0.17152558  1
  C  C126  1  0.02081403  0.30566514  0.87569631  1
  C  C127  1  0.97869496  0.69438719  0.12443338  1
  N  N128  1  0.51691766  0.10163312  0.61955781  1
  N  N129  1  0.48410474  0.89893037  0.38215601  1
  N  N130  1  0.68043857  0.08438842  0.46158103  1
  N  N131  1  0.32153046  0.91570018  0.54101037  1
  N  N132  1  0.31254101  0.39897675  0.48072113  1
  N  N133  1  0.68653050  0.60008998  0.51069801  1
  N  N134  1  0.69343328  0.40522284  0.48893611  1
  N  N135  1  0.30560625  0.59321146  0.49962247  1
  N  N136  1  0.49305994  0.48249425  0.36021490  1
  N  N137  1  0.50640726  0.51784040  0.64023030  1
  N  N138  1  0.29344298  0.07738006  0.45791550  1
  N  N139  1  0.70913421  0.92214354  0.54476987  1
