# generated using pymatgen
data_MnFeH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26915188
_cell_length_b   14.08406953
_cell_length_c   16.08164474
_cell_angle_alpha   101.76932038
_cell_angle_beta   95.39856184
_cell_angle_gamma   90.00476359
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH48Pd2(C19N3)4
_chemical_formula_sum   'Mn1 Fe1 H48 Pd2 C76 N12'
_cell_volume   1604.35007009
_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  0.50099955  0.99988329  0.50110780  1
  Fe  Fe1  1  0.49889635  0.49918344  0.49157083  1
  H  H2  1  0.55941186  0.99018705  0.68602937  1
  H  H3  1  0.44134735  0.01039326  0.31559635  1
  H  H4  1  0.56619780  0.09467799  0.82956747  1
  H  H5  1  0.43326971  0.90574018  0.17196604  1
  H  H6  1  0.48467930  0.34032090  0.70775360  1
  H  H7  1  0.51546250  0.66024581  0.29378377  1
  H  H8  1  0.48399514  0.22709399  0.56879956  1
  H  H9  1  0.51680964  0.77356071  0.43285946  1
  H  H10  1  0.77200727  0.52242815  0.36539031  1
  H  H11  1  0.22958490  0.47558423  0.63660516  1
  H  H12  1  0.78032132  0.49307655  0.20855130  1
  H  H13  1  0.22112142  0.50574799  0.79301260  1
  H  H14  1  0.20529964  0.40390141  0.18175646  1
  H  H15  1  0.79376549  0.59790714  0.81958656  1
  H  H16  1  0.21370029  0.44035221  0.33948889  1
  H  H17  1  0.78345447  0.56367073  0.66220994  1
  H  H18  1  0.47378378  0.20394171  0.32182799  1
  H  H19  1  0.52615937  0.79617912  0.67824089  1
  H  H20  1  0.19220172  0.11163561  0.25024739  1
  H  H21  1  0.80762323  0.88847198  0.74987144  1
  H  H22  1  0.16190181  0.05091680  0.09187245  1
  H  H23  1  0.83781008  0.94912274  0.90826803  1
  H  H24  1  0.41248373  0.08563509  0.00629493  1
  H  H25  1  0.58715848  0.91428272  0.99377454  1
  H  H26  1  0.78014011  0.27163790  0.31462591  1
  H  H27  1  0.21987396  0.72810136  0.68534372  1
  H  H28  1  0.03904906  0.29731499  0.23072959  1
  H  H29  1  0.96103874  0.70237254  0.76915367  1
  H  H30  1  0.00385532  0.24404438  0.07140016  1
  H  H31  1  0.99589368  0.75581735  0.92843747  1
  H  H32  1  0.71510016  0.15843924  0.99831717  1
  H  H33  1  0.28460092  0.84143916  0.00168503  1
  H  H34  1  0.11719140  0.15596019  0.95035734  1
  H  H35  1  0.88259509  0.84410214  0.04975415  1
  H  H36  1  0.16549989  0.98600203  0.87601022  1
  H  H37  1  0.83425095  0.01405828  0.12408028  1
  H  H38  1  0.12468535  0.94196844  0.71602412  1
  H  H39  1  0.87506871  0.05811996  0.28403483  1
  H  H40  1  0.03624633  0.06714116  0.63270505  1
  H  H41  1  0.96347956  0.93297758  0.36740026  1
  H  H42  1  0.96379767  0.23564965  0.62731199  1
  H  H43  1  0.03565940  0.76448748  0.37284513  1
  H  H44  1  0.91368922  0.40524391  0.70122592  1
  H  H45  1  0.08589700  0.59497197  0.29903111  1
  H  H46  1  0.94851070  0.44933035  0.86111041  1
  H  H47  1  0.05068133  0.55067723  0.13906431  1
  H  H48  1  0.03743271  0.32415173  0.94509244  1
  H  H49  1  0.96212815  0.67585323  0.05504896  1
  Pd  Pd50  1  0.99438044  0.24518626  0.46569406  1
  Pd  Pd51  1  0.00733726  0.75393558  0.53305250  1
  C  C52  1  0.54259343  0.06803119  0.69301234  1
  C  C53  1  0.45797233  0.93254652  0.30858146  1
  C  C54  1  0.54593818  0.12620514  0.77342837  1
  C  C55  1  0.45387309  0.87431793  0.22815203  1
  C  C56  1  0.52295143  0.22723380  0.78146496  1
  C  C57  1  0.47677598  0.77328584  0.22016375  1
  C  C58  1  0.50145812  0.26345435  0.70541293  1
  C  C59  1  0.49882637  0.73712099  0.29622122  1
  C  C60  1  0.50025430  0.19969469  0.62760460  1
  C  C61  1  0.50054226  0.80092498  0.37403369  1
  C  C62  1  0.52037956  0.28843110  0.86167761  1
  C  C63  1  0.47901682  0.71181179  0.14006234  1
  C  C64  1  0.51274807  0.33567095  0.93548840  1
  C  C65  1  0.48701284  0.66386063  0.06652957  1
  C  C66  1  0.79654113  0.14550528  0.45803858  1
  C  C67  1  0.20540013  0.85423523  0.54374035  1
  C  C68  1  0.19666849  0.34247584  0.47407081  1
  C  C69  1  0.80362225  0.65631215  0.51897234  1
  C  C70  1  0.80631561  0.34844234  0.47969962  1
  C  C71  1  0.19357573  0.65041079  0.51104161  1
  C  C72  1  0.17779646  0.13977231  0.45517821  1
  C  C73  1  0.82424402  0.85960908  0.54655757  1
  C  C74  1  0.64831314  0.49697169  0.32307547  1
  C  C75  1  0.35329529  0.50259682  0.67842414  1
  C  C76  1  0.65425579  0.47959766  0.23576419  1
  C  C77  1  0.34693036  0.51982899  0.76598935  1
  C  C78  1  0.49420140  0.44299227  0.18175747  1
  C  C79  1  0.50620474  0.55693109  0.82019575  1
  C  C80  1  0.33197410  0.43019156  0.22089152  1
  C  C81  1  0.66716865  0.57095126  0.78073062  1
  C  C82  1  0.33753032  0.45078425  0.30889001  1
  C  C83  1  0.65988596  0.55110925  0.69233978  1
  C  C84  1  0.49729018  0.41615791  0.09314258  1
  C  C85  1  0.50346003  0.58318601  0.90900168  1
  C  C86  1  0.50261591  0.38107191  0.01600275  1
  C  C87  1  0.49774421  0.61810807  0.98611890  1
  C  C88  1  0.45905782  0.17757802  0.25283976  1
  C  C89  1  0.54090248  0.82238022  0.74724268  1
  C  C90  1  0.30191501  0.12638661  0.21248180  1
  C  C91  1  0.69795814  0.87362951  0.78763374  1
  C  C92  1  0.28475506  0.09239668  0.12335508  1
  C  C93  1  0.71504331  0.90758278  0.87676166  1
  C  C94  1  0.42428361  0.11105550  0.07543058  1
  C  C95  1  0.57548481  0.88885853  0.92464099  1
  C  C96  1  0.60531937  0.19593514  0.20565190  1
  C  C97  1  0.39463456  0.80395236  0.79437380  1
  C  C98  1  0.76952750  0.24561297  0.24553527  1
  C  C99  1  0.23054247  0.75417201  0.75440903  1
  C  C100  1  0.91165675  0.26136320  0.19809516  1
  C  C101  1  0.08840202  0.73841780  0.80181092  1
  C  C102  1  0.89224453  0.23034606  0.10854693  1
  C  C103  1  0.10762795  0.76949919  0.89135320  1
  C  C104  1  0.73289166  0.18151837  0.06771027  1
  C  C105  1  0.26692344  0.81832167  0.93229095  1
  C  C106  1  0.58728700  0.16236803  0.11494936  1
  C  C107  1  0.41256107  0.83748586  0.88507832  1
  C  C108  1  0.04813903  0.20831093  0.83456523  1
  C  C109  1  0.95146242  0.79174674  0.16555738  1
  C  C110  1  0.09826696  0.13528440  0.88084095  1
  C  C111  1  0.90144652  0.86477460  0.11926988  1
  C  C112  1  0.12525738  0.04092215  0.83901614  1
  C  C113  1  0.87447492  0.95914559  0.16108072  1
  C  C114  1  0.10204738  0.01603055  0.74915804  1
  C  C115  1  0.89765372  0.98405322  0.25093299  1
  C  C116  1  0.05379389  0.08580048  0.70221406  1
  C  C117  1  0.94591403  0.91430553  0.29789572  1
  C  C118  1  0.02675450  0.18297921  0.74325528  1
  C  C119  1  0.97283652  0.81711173  0.25686946  1
  C  C120  1  0.97942456  0.25604129  0.69684819  1
  C  C121  1  0.02006291  0.74408432  0.30329983  1
  C  C122  1  0.95232808  0.35037817  0.73841295  1
  C  C123  1  0.04713090  0.64972597  0.26174207  1
  C  C124  1  0.97250780  0.37526652  0.82835091  1
  C  C125  1  0.02690459  0.62477557  0.17180943  1
  C  C126  1  0.02019299  0.30549174  0.87547749  1
  C  C127  1  0.97930457  0.69454385  0.12466381  1
  N  N128  1  0.51808574  0.10290499  0.62053655  1
  N  N129  1  0.48300271  0.89770687  0.38108191  1
  N  N130  1  0.68355506  0.08603902  0.45794448  1
  N  N131  1  0.31858187  0.91376128  0.54430674  1
  N  N132  1  0.31630505  0.39997126  0.47949392  1
  N  N133  1  0.68261880  0.59874134  0.50883369  1
  N  N134  1  0.69025617  0.40652085  0.48777463  1
  N  N135  1  0.30800385  0.59199589  0.49794108  1
  N  N136  1  0.49338660  0.48221766  0.36023939  1
  N  N137  1  0.50627080  0.51803278  0.64078808  1
  N  N138  1  0.28672302  0.07812965  0.45371313  1
  N  N139  1  0.71540937  0.92137362  0.54885941  1
