# generated using pymatgen
data_FeNiH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27017187
_cell_length_b   14.08554798
_cell_length_c   16.08212773
_cell_angle_alpha   101.77421486
_cell_angle_beta   95.39630750
_cell_angle_gamma   90.00275743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH48Pd2(C19N3)4
_chemical_formula_sum   'Fe1 Ni1 H48 Pd2 C76 N12'
_cell_volume   1604.77035320
_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  0.50084042  0.99994441  0.50120219  1
  Fe  Fe1  1  0.49977270  0.49931956  0.49413824  1
  H  H2  1  0.55960095  0.98988905  0.68457132  1
  H  H3  1  0.44135971  0.01069187  0.31706231  1
  H  H4  1  0.56607882  0.09450576  0.82934341  1
  H  H5  1  0.43343809  0.90595439  0.17237013  1
  H  H6  1  0.48466163  0.33986445  0.70747644  1
  H  H7  1  0.51561613  0.66080578  0.29418117  1
  H  H8  1  0.48563721  0.22578794  0.56861726  1
  H  H9  1  0.51518650  0.77460134  0.43286069  1
  H  H10  1  0.77110645  0.52243167  0.36539519  1
  H  H11  1  0.22992881  0.47516405  0.63604548  1
  H  H12  1  0.78052407  0.49297464  0.20865499  1
  H  H13  1  0.22057015  0.50547371  0.79190069  1
  H  H14  1  0.20498467  0.40443615  0.18158658  1
  H  H15  1  0.79441122  0.59721256  0.81869389  1
  H  H16  1  0.21373846  0.44124558  0.33950695  1
  H  H17  1  0.78370093  0.56324737  0.66174952  1
  H  H18  1  0.47416945  0.20341446  0.32194415  1
  H  H19  1  0.52564656  0.79679817  0.67807968  1
  H  H20  1  0.19239844  0.11143321  0.25008505  1
  H  H21  1  0.80739669  0.88865091  0.75003525  1
  H  H22  1  0.16180532  0.05122714  0.09172889  1
  H  H23  1  0.83785258  0.94877765  0.90838271  1
  H  H24  1  0.41297008  0.08654732  0.00614798  1
  H  H25  1  0.58664105  0.91334268  0.99390989  1
  H  H26  1  0.77790922  0.27291830  0.31444840  1
  H  H27  1  0.22236483  0.72684369  0.68550467  1
  H  H28  1  0.03826715  0.29767323  0.23045009  1
  H  H29  1  0.96185411  0.70192605  0.76936170  1
  H  H30  1  0.00229471  0.24488462  0.07115008  1
  H  H31  1  0.99738839  0.75490424  0.92862984  1
  H  H32  1  0.71227279  0.15964543  0.99812367  1
  H  H33  1  0.28739587  0.84020637  0.00182137  1
  H  H34  1  0.11773219  0.15677252  0.95036357  1
  H  H35  1  0.88205406  0.84326433  0.04971717  1
  H  H36  1  0.16595494  0.98636597  0.87591059  1
  H  H37  1  0.83379983  0.01369753  0.12413388  1
  H  H38  1  0.12506267  0.94234199  0.71612933  1
  H  H39  1  0.87469564  0.05777476  0.28387768  1
  H  H40  1  0.03575226  0.06730993  0.63257421  1
  H  H41  1  0.96391544  0.93286477  0.36750560  1
  H  H42  1  0.96393238  0.23558413  0.62745924  1
  H  H43  1  0.03536161  0.76456944  0.37272043  1
  H  H44  1  0.91323156  0.40532942  0.70151957  1
  H  H45  1  0.08645439  0.59489290  0.29873210  1
  H  H46  1  0.94916424  0.44943358  0.86144826  1
  H  H47  1  0.05009664  0.55060747  0.13876408  1
  H  H48  1  0.03932056  0.32413196  0.94521561  1
  H  H49  1  0.96021179  0.67588368  0.05492634  1
  Pd  Pd50  1  0.99359586  0.24173352  0.46424909  1
  Pd  Pd51  1  0.00784321  0.75722010  0.53355499  1
  C  C52  1  0.54196405  0.06773074  0.69236565  1
  C  C53  1  0.45866523  0.93283648  0.30928545  1
  C  C54  1  0.54520103  0.12578685  0.77307946  1
  C  C55  1  0.45472043  0.87461964  0.22855747  1
  C  C56  1  0.52230141  0.22662787  0.78103690  1
  C  C57  1  0.47758877  0.77368433  0.22028871  1
  C  C58  1  0.50094580  0.26294089  0.70512484  1
  C  C59  1  0.49944345  0.73768266  0.29635745  1
  C  C60  1  0.50032988  0.19865737  0.62744958  1
  C  C61  1  0.50046140  0.80193157  0.37410011  1
  C  C62  1  0.52052477  0.28776584  0.86140823  1
  C  C63  1  0.47907586  0.71241352  0.13980263  1
  C  C64  1  0.51343404  0.33509987  0.93513822  1
  C  C65  1  0.48630877  0.66442491  0.06627945  1
  C  C66  1  0.79575870  0.14209307  0.45895426  1
  C  C67  1  0.20618621  0.85750788  0.54251188  1
  C  C68  1  0.19519475  0.34016801  0.47399794  1
  C  C69  1  0.80490927  0.65879470  0.52057260  1
  C  C70  1  0.80565746  0.34554656  0.47961452  1
  C  C71  1  0.19433247  0.65307994  0.51216508  1
  C  C72  1  0.17934119  0.13671533  0.45605318  1
  C  C73  1  0.82258293  0.86267083  0.54521542  1
  C  C74  1  0.64774342  0.49688428  0.32295281  1
  C  C75  1  0.35351760  0.50246549  0.67779658  1
  C  C76  1  0.65416156  0.47938471  0.23558163  1
  C  C77  1  0.34679445  0.52003172  0.76536635  1
  C  C78  1  0.49432612  0.44274089  0.18137817  1
  C  C79  1  0.50590104  0.55733639  0.81973353  1
  C  C80  1  0.33210344  0.43022543  0.22065163  1
  C  C81  1  0.66712284  0.57097434  0.78018214  1
  C  C82  1  0.33753770  0.45121109  0.30871606  1
  C  C83  1  0.66015280  0.55085784  0.69186639  1
  C  C84  1  0.49737489  0.41579261  0.09273432  1
  C  C85  1  0.50283275  0.58374353  0.90859992  1
  C  C86  1  0.50280038  0.38074121  0.01565256  1
  C  C87  1  0.49734291  0.61846982  0.98576892  1
  C  C88  1  0.45948682  0.17712556  0.25291710  1
  C  C89  1  0.54043098  0.82284674  0.74713268  1
  C  C90  1  0.30221645  0.12615319  0.21241589  1
  C  C91  1  0.69763032  0.87384335  0.78769764  1
  C  C92  1  0.28480275  0.09245102  0.12329378  1
  C  C93  1  0.71493513  0.90749514  0.87681736  1
  C  C94  1  0.42433517  0.11112276  0.07538101  1
  C  C95  1  0.57536012  0.88877213  0.92467592  1
  C  C96  1  0.60548940  0.19559802  0.20571040  1
  C  C97  1  0.39441428  0.80427939  0.79427008  1
  C  C98  1  0.76912086  0.24582877  0.24549739  1
  C  C99  1  0.23092882  0.75394801  0.75441773  1
  C  C100  1  0.91114805  0.26141034  0.19795024  1
  C  C101  1  0.08886726  0.73832813  0.80190596  1
  C  C102  1  0.89151991  0.23047393  0.10844462  1
  C  C103  1  0.10830733  0.76932716  0.89140928  1
  C  C104  1  0.73205267  0.18183520  0.06755954  1
  C  C105  1  0.26769880  0.81798725  0.93237564  1
  C  C106  1  0.58731819  0.16219787  0.11500447  1
  C  C107  1  0.41247158  0.83765050  0.88497683  1
  C  C108  1  0.04858276  0.20849223  0.83457086  1
  C  C109  1  0.95101580  0.79158451  0.16554415  1
  C  C110  1  0.09884331  0.13557574  0.88086594  1
  C  C111  1  0.90085243  0.86447978  0.11921288  1
  C  C112  1  0.12558941  0.04124592  0.83895772  1
  C  C113  1  0.87412075  0.95882015  0.16109363  1
  C  C114  1  0.10221232  0.01641186  0.74913448  1
  C  C115  1  0.89747282  0.98369118  0.25091209  1
  C  C116  1  0.05357877  0.08604106  0.70210601  1
  C  C117  1  0.94607648  0.91409736  0.29797985  1
  C  C118  1  0.02672971  0.18316855  0.74326136  1
  C  C119  1  0.97284875  0.81694584  0.25685982  1
  C  C120  1  0.97930177  0.25628145  0.69698490  1
  C  C121  1  0.02017874  0.74387392  0.30317111  1
  C  C122  1  0.95224127  0.35054821  0.73869680  1
  C  C123  1  0.04724317  0.64958448  0.26147037  1
  C  C124  1  0.97285473  0.37539146  0.82860119  1
  C  C125  1  0.02659755  0.62468963  0.17156913  1
  C  C126  1  0.02109730  0.30561512  0.87561146  1
  C  C127  1  0.97841142  0.69444423  0.12452896  1
  N  N128  1  0.51731975  0.10220312  0.62026889  1
  N  N129  1  0.48377209  0.89843727  0.38142446  1
  N  N130  1  0.68252329  0.08405495  0.46181833  1
  N  N131  1  0.31957584  0.91584282  0.54062173  1
  N  N132  1  0.31292644  0.39914099  0.48130692  1
  N  N133  1  0.68618073  0.60000735  0.51106305  1
  N  N134  1  0.69244748  0.40510434  0.48941695  1
  N  N135  1  0.30671202  0.59338842  0.49991624  1
  N  N136  1  0.49307678  0.48252548  0.36031960  1
  N  N137  1  0.50651334  0.51784792  0.64019451  1
  N  N138  1  0.29135077  0.07719038  0.45790416  1
  N  N139  1  0.71064138  0.92242468  0.54444768  1
