# generated using pymatgen
data_FeNiH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26943219
_cell_length_b   14.08437947
_cell_length_c   16.08294828
_cell_angle_alpha   101.76856199
_cell_angle_beta   95.39866205
_cell_angle_gamma   90.00283842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH48Pd2(C19N3)4
_chemical_formula_sum   'Fe1 Ni1 H48 Pd2 C76 N12'
_cell_volume   1604.58258040
_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  0.50048215  1.00011172  0.50106882  1
  Ni  Ni1  1  0.49905543  0.49899985  0.49067922  1
  H  H2  1  0.55972995  0.98971307  0.68623651  1
  H  H3  1  0.44104219  0.01085385  0.31541504  1
  H  H4  1  0.56632662  0.09441863  0.82912499  1
  H  H5  1  0.43316125  0.90607807  0.17250433  1
  H  H6  1  0.48478999  0.33975184  0.70702502  1
  H  H7  1  0.51544580  0.66086510  0.29454674  1
  H  H8  1  0.48466665  0.22815744  0.56914831  1
  H  H9  1  0.51623146  0.77233836  0.43246751  1
  H  H10  1  0.77074045  0.52173187  0.36468482  1
  H  H11  1  0.23083416  0.47588388  0.63684500  1
  H  H12  1  0.78035416  0.49266108  0.20728160  1
  H  H13  1  0.22081059  0.50592248  0.79388228  1
  H  H14  1  0.20499634  0.40380042  0.18026605  1
  H  H15  1  0.79409761  0.59787567  0.82055924  1
  H  H16  1  0.21489857  0.44074034  0.33899816  1
  H  H17  1  0.78221414  0.56346591  0.66229332  1
  H  H18  1  0.47411804  0.20418031  0.32168942  1
  H  H19  1  0.52578766  0.79598472  0.67836584  1
  H  H20  1  0.19240875  0.11166773  0.25031491  1
  H  H21  1  0.80743015  0.88843772  0.74980860  1
  H  H22  1  0.16201170  0.05093336  0.09159876  1
  H  H23  1  0.83770397  0.94909970  0.90853801  1
  H  H24  1  0.41326733  0.08612797  0.00633187  1
  H  H25  1  0.58639684  0.91378869  0.99374848  1
  H  H26  1  0.77851946  0.27219853  0.31456057  1
  H  H27  1  0.22158776  0.72758682  0.68545312  1
  H  H28  1  0.03879599  0.29750750  0.23068046  1
  H  H29  1  0.96132543  0.70216036  0.76918179  1
  H  H30  1  0.00324827  0.24436313  0.07124508  1
  H  H31  1  0.99647396  0.75546929  0.92858664  1
  H  H32  1  0.71334879  0.15881608  0.99832973  1
  H  H33  1  0.28630185  0.84104536  0.00166542  1
  H  H34  1  0.11720033  0.15656368  0.95027985  1
  H  H35  1  0.88259575  0.84349119  0.04983286  1
  H  H36  1  0.16563860  0.98624768  0.87624114  1
  H  H37  1  0.83412982  0.01380820  0.12384281  1
  H  H38  1  0.12456126  0.94214485  0.71582139  1
  H  H39  1  0.87519470  0.05795422  0.28424062  1
  H  H40  1  0.03608690  0.06750178  0.63283288  1
  H  H41  1  0.96361633  0.93263623  0.36726542  1
  H  H42  1  0.96406086  0.23530115  0.62739819  1
  H  H43  1  0.03541116  0.76487251  0.37281184  1
  H  H44  1  0.91355198  0.40529208  0.70129958  1
  H  H45  1  0.08613517  0.59491506  0.29894603  1
  H  H46  1  0.94858807  0.44937000  0.86118442  1
  H  H47  1  0.05062620  0.55064310  0.13901707  1
  H  H48  1  0.03818182  0.32388567  0.94509945  1
  H  H49  1  0.96137259  0.67610967  0.05504761  1
  Pd  Pd50  1  0.99381129  0.23838047  0.46447832  1
  Pd  Pd51  1  0.00821949  0.76061432  0.53456181  1
  C  C52  1  0.54222608  0.06745315  0.69251580  1
  C  C53  1  0.45839416  0.93308765  0.30914972  1
  C  C54  1  0.54536766  0.12573724  0.77289744  1
  C  C55  1  0.45447862  0.87477734  0.22871707  1
  C  C56  1  0.52258776  0.22675941  0.78088736  1
  C  C57  1  0.47716034  0.77371220  0.22064483  1
  C  C58  1  0.50133523  0.26284304  0.70473386  1
  C  C59  1  0.49902248  0.73776081  0.29686095  1
  C  C60  1  0.50026486  0.19901115  0.62707262  1
  C  C61  1  0.50058849  0.80156053  0.37457339  1
  C  C62  1  0.52061468  0.28806020  0.86102442  1
  C  C63  1  0.47883275  0.71214379  0.14055023  1
  C  C64  1  0.51320006  0.33517933  0.93484948  1
  C  C65  1  0.48653827  0.66430710  0.06698275  1
  C  C66  1  0.79103045  0.14017848  0.45876484  1
  C  C67  1  0.21103438  0.85942084  0.54291546  1
  C  C68  1  0.19294867  0.33892116  0.47377368  1
  C  C69  1  0.80726624  0.66002047  0.52005722  1
  C  C70  1  0.80922270  0.34475862  0.47972081  1
  C  C71  1  0.19075030  0.65394551  0.51164963  1
  C  C72  1  0.18402034  0.13444403  0.45649467  1
  C  C73  1  0.81830333  0.86481738  0.54509183  1
  C  C74  1  0.64737793  0.49690906  0.32199315  1
  C  C75  1  0.35381627  0.50265541  0.67921707  1
  C  C76  1  0.65430113  0.47939860  0.23460360  1
  C  C77  1  0.34654755  0.52003355  0.76679129  1
  C  C78  1  0.49409897  0.44283644  0.18080691  1
  C  C79  1  0.50607325  0.55716069  0.82070802  1
  C  C80  1  0.33157264  0.42990046  0.21961387  1
  C  C81  1  0.66746168  0.57122760  0.78163276  1
  C  C82  1  0.33776515  0.45101716  0.30777679  1
  C  C83  1  0.65982581  0.55104654  0.69319564  1
  C  C84  1  0.49731047  0.41593785  0.09227112  1
  C  C85  1  0.50332466  0.58332767  0.90956084  1
  C  C86  1  0.50248468  0.38099403  0.01519817  1
  C  C87  1  0.49786063  0.61822213  0.98666061  1
  C  C88  1  0.45919941  0.17751350  0.25275703  1
  C  C89  1  0.54075429  0.82244449  0.74732143  1
  C  C90  1  0.30189082  0.12641678  0.21245459  1
  C  C91  1  0.69799220  0.87358363  0.78766279  1
  C  C92  1  0.28460208  0.09248664  0.12334099  1
  C  C93  1  0.71519539  0.90748873  0.87677549  1
  C  C94  1  0.42423445  0.11116630  0.07548660  1
  C  C95  1  0.57553539  0.88875378  0.92459481  1
  C  C96  1  0.60552595  0.19576156  0.20565993  1
  C  C97  1  0.39441355  0.80415251  0.79437086  1
  C  C98  1  0.76949270  0.24565669  0.24554830  1
  C  C99  1  0.23056237  0.75417468  0.75442525  1
  C  C100  1  0.91160210  0.26132669  0.19808500  1
  C  C101  1  0.08844431  0.73845419  0.80182617  1
  C  C102  1  0.89209617  0.23036765  0.10854816  1
  C  C103  1  0.10776389  0.76946627  0.89135955  1
  C  C104  1  0.73277176  0.18147674  0.06772969  1
  C  C105  1  0.26703583  0.81835662  0.93226468  1
  C  C106  1  0.58746095  0.16219446  0.11500785  1
  C  C107  1  0.41239132  0.83767140  0.88502526  1
  C  C108  1  0.04821038  0.20839751  0.83456910  1
  C  C109  1  0.95139175  0.79165610  0.16556176  1
  C  C110  1  0.09836034  0.13537994  0.88080104  1
  C  C111  1  0.90134042  0.86466938  0.11931263  1
  C  C112  1  0.12539512  0.04100318  0.83905956  1
  C  C113  1  0.87432429  0.95905697  0.16103167  1
  C  C114  1  0.10207028  0.01612611  0.74922226  1
  C  C115  1  0.89762925  0.98396442  0.25085968  1
  C  C116  1  0.05380023  0.08598969  0.70234636  1
  C  C117  1  0.94590135  0.91412422  0.29775376  1
  C  C118  1  0.02677690  0.18313269  0.74333215  1
  C  C119  1  0.97283044  0.81695594  0.25680505  1
  C  C120  1  0.97939495  0.25617228  0.69691833  1
  C  C121  1  0.02011469  0.74397286  0.30326809  1
  C  C122  1  0.95218069  0.35045671  0.73850937  1
  C  C123  1  0.04737235  0.64967221  0.26167622  1
  C  C124  1  0.97263931  0.37532278  0.82841365  1
  C  C125  1  0.02684705  0.62474029  0.17176219  1
  C  C126  1  0.02044394  0.30551812  0.87550694  1
  C  C127  1  0.97907670  0.69451618  0.12464118  1
  N  N128  1  0.51752394  0.10188297  0.61978089  1
  N  N129  1  0.48347449  0.89866932  0.38192503  1
  N  N130  1  0.67693694  0.08272382  0.46257172  1
  N  N131  1  0.32488955  0.91722722  0.53966598  1
  N  N132  1  0.31081589  0.39732062  0.47986687  1
  N  N133  1  0.68804953  0.60169035  0.51010121  1
  N  N134  1  0.69642196  0.40438141  0.48950587  1
  N  N135  1  0.30231035  0.59415327  0.49826594  1
  N  N136  1  0.49261869  0.48303060  0.35835774  1
  N  N137  1  0.50681158  0.51759010  0.64256126  1
  N  N138  1  0.29789305  0.07578654  0.45909972  1
  N  N139  1  0.70462145  0.92375242  0.54340797  1
