# generated using pymatgen
data_MnNiH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27200359
_cell_length_b   14.08856237
_cell_length_c   16.08646894
_cell_angle_alpha   101.77561500
_cell_angle_beta   95.39707860
_cell_angle_gamma   90.00174076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH48Pd2(C19N3)4
_chemical_formula_sum   'Mn1 Ni1 H48 Pd2 C76 N12'
_cell_volume   1605.94177469
_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  0.50094338  1.00029340  0.50141063  1
  Ni  Ni1  1  0.49933183  0.49892317  0.49140093  1
  H  H2  1  0.55907970  0.98846390  0.68532748  1
  H  H3  1  0.44126459  0.01177821  0.31593225  1
  H  H4  1  0.56585663  0.09347770  0.82757058  1
  H  H5  1  0.43366686  0.90691227  0.17385119  1
  H  H6  1  0.48500039  0.33793846  0.70538272  1
  H  H7  1  0.51548525  0.66242228  0.29583249  1
  H  H8  1  0.48544977  0.22725693  0.56780297  1
  H  H9  1  0.51534258  0.77289461  0.43338927  1
  H  H10  1  0.77034251  0.52185881  0.36445349  1
  H  H11  1  0.23199239  0.47544038  0.63648540  1
  H  H12  1  0.78037492  0.49236004  0.20732649  1
  H  H13  1  0.22056489  0.50618800  0.79379346  1
  H  H14  1  0.20483817  0.40456761  0.18029725  1
  H  H15  1  0.79403718  0.59736261  0.82069288  1
  H  H16  1  0.21450529  0.44134888  0.33863076  1
  H  H17  1  0.78197746  0.56304317  0.66218171  1
  H  H18  1  0.47335936  0.20406531  0.32161656  1
  H  H19  1  0.52646428  0.79618747  0.67842759  1
  H  H20  1  0.19219232  0.11144404  0.24977591  1
  H  H21  1  0.80769626  0.88861655  0.75036517  1
  H  H22  1  0.16163465  0.05138390  0.09153222  1
  H  H23  1  0.83807227  0.94862236  0.90861833  1
  H  H24  1  0.41275186  0.08687460  0.00603822  1
  H  H25  1  0.58690694  0.91301724  0.99405276  1
  H  H26  1  0.77706023  0.27403102  0.31427402  1
  H  H27  1  0.22314578  0.72582839  0.68570167  1
  H  H28  1  0.03780190  0.29798918  0.23029575  1
  H  H29  1  0.96228344  0.70168582  0.76950787  1
  H  H30  1  0.00161430  0.24538551  0.07101319  1
  H  H31  1  0.99808677  0.75435754  0.92877088  1
  H  H32  1  0.71130930  0.16045777  0.99800299  1
  H  H33  1  0.28823076  0.83934785  0.00194931  1
  H  H34  1  0.11833659  0.15712925  0.95066492  1
  H  H35  1  0.88145800  0.84287280  0.04941735  1
  H  H36  1  0.16635604  0.98678590  0.87625533  1
  H  H37  1  0.83339355  0.01324732  0.12374515  1
  H  H38  1  0.12485305  0.94269654  0.71659235  1
  H  H39  1  0.87495611  0.05744642  0.28336701  1
  H  H40  1  0.03565099  0.06787610  0.63308648  1
  H  H41  1  0.96397705  0.93232774  0.36697578  1
  H  H42  1  0.96386975  0.23599647  0.62779443  1
  H  H43  1  0.03536632  0.76410936  0.37247702  1
  H  H44  1  0.91276478  0.40556872  0.70179455  1
  H  H45  1  0.08709486  0.59469694  0.29847833  1
  H  H46  1  0.94922279  0.44976833  0.86170141  1
  H  H47  1  0.05011566  0.55030259  0.13857189  1
  H  H48  1  0.04066486  0.32427489  0.94547454  1
  H  H49  1  0.95886727  0.67573383  0.05470401  1
  Pd  Pd50  1  0.99343315  0.23500406  0.46417227  1
  Pd  Pd51  1  0.00805661  0.76409654  0.53425616  1
  C  C52  1  0.54129930  0.06599891  0.69078959  1
  C  C53  1  0.45919558  0.93427340  0.31066569  1
  C  C54  1  0.54503174  0.12461234  0.77116836  1
  C  C55  1  0.45498345  0.87572158  0.23021212  1
  C  C56  1  0.52235255  0.22565728  0.77968283  1
  C  C57  1  0.47771007  0.77465664  0.22154442  1
  C  C58  1  0.50084618  0.26095994  0.70308730  1
  C  C59  1  0.49966368  0.73938347  0.29814368  1
  C  C60  1  0.49966772  0.19734426  0.62533319  1
  C  C61  1  0.50109168  0.80299086  0.37594758  1
  C  C62  1  0.52089669  0.28706624  0.86008964  1
  C  C63  1  0.47893289  0.71323309  0.14108037  1
  C  C64  1  0.51380152  0.33474984  0.93383462  1
  C  C65  1  0.48593575  0.66503272  0.06751387  1
  C  C66  1  0.79127517  0.13717507  0.46015803  1
  C  C67  1  0.21114496  0.86229587  0.54129639  1
  C  C68  1  0.19182815  0.33660133  0.47347572  1
  C  C69  1  0.80817038  0.66250834  0.52136891  1
  C  C70  1  0.80818650  0.34171410  0.48077196  1
  C  C71  1  0.19161653  0.65689014  0.51264731  1
  C  C72  1  0.18474878  0.13157513  0.45712909  1
  C  C73  1  0.81725961  0.86804798  0.54420694  1
  C  C74  1  0.64714021  0.49660840  0.32184786  1
  C  C75  1  0.35417213  0.50249146  0.67922684  1
  C  C76  1  0.65401581  0.47923322  0.23439309  1
  C  C77  1  0.34647916  0.52014619  0.76681734  1
  C  C78  1  0.49404846  0.44288668  0.18024290  1
  C  C79  1  0.50580137  0.55730253  0.82093973  1
  C  C80  1  0.33165332  0.43060133  0.21939631  1
  C  C81  1  0.66734066  0.57091275  0.78177982  1
  C  C82  1  0.33773556  0.45152661  0.30764160  1
  C  C83  1  0.66004015  0.55072405  0.69333468  1
  C  C84  1  0.49715198  0.41575554  0.09142973  1
  C  C85  1  0.50301448  0.58402574  0.90993509  1
  C  C86  1  0.50291451  0.38062795  0.01432473  1
  C  C87  1  0.49715626  0.61892045  0.98707051  1
  C  C88  1  0.45915594  0.17732273  0.25268758  1
  C  C89  1  0.54074534  0.82270616  0.74738511  1
  C  C90  1  0.30204525  0.12617654  0.21216749  1
  C  C91  1  0.69781770  0.87384951  0.78795847  1
  C  C92  1  0.28474163  0.09245837  0.12309642  1
  C  C93  1  0.71502474  0.90751184  0.87703403  1
  C  C94  1  0.42422597  0.11124223  0.07526552  1
  C  C95  1  0.57549447  0.88867424  0.92482355  1
  C  C96  1  0.60522151  0.19582817  0.20560233  1
  C  C97  1  0.39467586  0.80412844  0.79441817  1
  C  C98  1  0.76860912  0.24633961  0.24541133  1
  C  C99  1  0.23146136  0.75350437  0.75453642  1
  C  C100  1  0.91067540  0.26170753  0.19784290  1
  C  C101  1  0.08934736  0.73805943  0.80201525  1
  C  C102  1  0.89097652  0.23085168  0.10832244  1
  C  C103  1  0.10882749  0.76893787  0.89153437  1
  C  C104  1  0.73156063  0.18221500  0.06744933  1
  C  C105  1  0.26815034  0.81760380  0.93250210  1
  C  C106  1  0.58712172  0.16234063  0.11491707  1
  C  C107  1  0.41267040  0.83754413  0.88510699  1
  C  C108  1  0.04891224  0.20893415  0.83490793  1
  C  C109  1  0.95072384  0.79113868  0.16522843  1
  C  C110  1  0.09924794  0.13602408  0.88118173  1
  C  C111  1  0.90046564  0.86401292  0.11889948  1
  C  C112  1  0.12588769  0.04167777  0.83934578  1
  C  C113  1  0.87382414  0.95837452  0.16067869  1
  C  C114  1  0.10222159  0.01678345  0.74957486  1
  C  C115  1  0.89746991  0.98332750  0.25043988  1
  C  C116  1  0.05354250  0.08648561  0.70258617  1
  C  C117  1  0.94610398  0.91366982  0.29748107  1
  C  C118  1  0.02680586  0.18359984  0.74365019  1
  C  C119  1  0.97279478  0.81652447  0.25649280  1
  C  C120  1  0.97924776  0.25663339  0.69731909  1
  C  C121  1  0.02022125  0.74357885  0.30291374  1
  C  C122  1  0.95204854  0.35085484  0.73900562  1
  C  C123  1  0.04752807  0.64934836  0.26123303  1
  C  C124  1  0.97306835  0.37574876  0.82887738  1
  C  C125  1  0.02649117  0.62436855  0.17135283  1
  C  C126  1  0.02165000  0.30605458  0.87590543  1
  C  C127  1  0.97789918  0.69400019  0.12427106  1
  N  N128  1  0.51580158  0.09963300  0.61740997  1
  N  N129  1  0.48517820  0.90062845  0.38404072  1
  N  N130  1  0.67576028  0.08078057  0.46477590  1
  N  N131  1  0.32670319  0.91922243  0.53795565  1
  N  N132  1  0.30836417  0.39587999  0.48013953  1
  N  N133  1  0.69106310  0.60294004  0.51107425  1
  N  N134  1  0.69697817  0.40229791  0.48943726  1
  N  N135  1  0.30201113  0.59625182  0.50031908  1
  N  N136  1  0.49264690  0.48273783  0.35847155  1
  N  N137  1  0.50710885  0.51742607  0.64261296  1
  N  N138  1  0.30141821  0.07464369  0.46154861  1
  N  N139  1  0.70088571  0.92539019  0.54102167  1
