# generated using pymatgen
data_MnVH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26977978
_cell_length_b   14.08514100
_cell_length_c   16.08157599
_cell_angle_alpha   101.76926529
_cell_angle_beta   95.39865921
_cell_angle_gamma   90.00447412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVH48Pd2(C19N3)4
_chemical_formula_sum   'Mn1 V1 H48 Pd2 C76 N12'
_cell_volume   1604.60407572
_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  0.50098454  0.99986372  0.50113674  1
  V  V1  1  0.49911207  0.49954281  0.49434840  1
  H  H2  1  0.55957518  0.98994024  0.68604503  1
  H  H3  1  0.44118591  0.01059158  0.31558577  1
  H  H4  1  0.56627256  0.09476578  0.82952998  1
  H  H5  1  0.43319935  0.90564235  0.17201058  1
  H  H6  1  0.48463888  0.34008793  0.70764952  1
  H  H7  1  0.51555677  0.66049540  0.29391199  1
  H  H8  1  0.48398367  0.22730552  0.56888949  1
  H  H9  1  0.51685615  0.77337406  0.43277458  1
  H  H10  1  0.77392405  0.52235509  0.36501188  1
  H  H11  1  0.22706175  0.47535554  0.63701438  1
  H  H12  1  0.78070957  0.49301522  0.20804833  1
  H  H13  1  0.22175229  0.50569850  0.79246016  1
  H  H14  1  0.20485202  0.40375210  0.18115201  1
  H  H15  1  0.79315050  0.59759414  0.81886825  1
  H  H16  1  0.21146877  0.44016849  0.33896819  1
  H  H17  1  0.78604098  0.56392154  0.66285058  1
  H  H18  1  0.47412514  0.20381922  0.32160920  1
  H  H19  1  0.52583159  0.79627272  0.67845925  1
  H  H20  1  0.19232081  0.11170608  0.25038119  1
  H  H21  1  0.80750847  0.88839532  0.74972921  1
  H  H22  1  0.16190216  0.05081042  0.09164872  1
  H  H23  1  0.83779079  0.94921981  0.90848641  1
  H  H24  1  0.41291898  0.08579680  0.00644338  1
  H  H25  1  0.58670683  0.91411237  0.99361112  1
  H  H26  1  0.77964789  0.27153587  0.31458086  1
  H  H27  1  0.22049102  0.72816493  0.68542107  1
  H  H28  1  0.03897315  0.29736715  0.23075841  1
  H  H29  1  0.96109083  0.70231735  0.76909644  1
  H  H30  1  0.00379179  0.24406009  0.07133528  1
  H  H31  1  0.99595144  0.75579606  0.92849547  1
  H  H32  1  0.71444013  0.15841123  0.99834072  1
  H  H33  1  0.28526243  0.84146249  0.00164622  1
  H  H34  1  0.11707199  0.15616614  0.95020139  1
  H  H35  1  0.88271814  0.84390289  0.04991370  1
  H  H36  1  0.16553136  0.98606840  0.87621415  1
  H  H37  1  0.83422590  0.01399645  0.12388274  1
  H  H38  1  0.12458733  0.94201434  0.71582467  1
  H  H39  1  0.87515313  0.05807608  0.28424512  1
  H  H40  1  0.03619336  0.06733423  0.63285151  1
  H  H41  1  0.96352125  0.93278624  0.36724806  1
  H  H42  1  0.96400145  0.23537226  0.62739551  1
  H  H43  1  0.03546940  0.76481027  0.37277134  1
  H  H44  1  0.91397832  0.40525913  0.70129647  1
  H  H45  1  0.08565686  0.59493845  0.29892957  1
  H  H46  1  0.94853712  0.44929348  0.86113428  1
  H  H47  1  0.05063569  0.55070593  0.13905281  1
  H  H48  1  0.03755797  0.32393766  0.94504873  1
  H  H49  1  0.96199541  0.67606437  0.05507957  1
  Pd  Pd50  1  0.99428567  0.24239092  0.46541505  1
  Pd  Pd51  1  0.00751736  0.75674642  0.53364489  1
  C  C52  1  0.54258636  0.06778553  0.69294456  1
  C  C53  1  0.45800348  0.93274731  0.30864287  1
  C  C54  1  0.54574793  0.12609639  0.77333196  1
  C  C55  1  0.45406288  0.87440062  0.22824980  1
  C  C56  1  0.52288165  0.22717409  0.78149002  1
  C  C57  1  0.47683000  0.77331126  0.22012336  1
  C  C58  1  0.50151287  0.26326097  0.70533617  1
  C  C59  1  0.49875878  0.73730971  0.29628355  1
  C  C60  1  0.50029299  0.19959686  0.62756932  1
  C  C61  1  0.50051064  0.80101404  0.37406165  1
  C  C62  1  0.52043632  0.28857904  0.86164572  1
  C  C63  1  0.47898788  0.71163592  0.14001678  1
  C  C64  1  0.51284259  0.33561135  0.93551798  1
  C  C65  1  0.48691171  0.66384811  0.06640007  1
  C  C66  1  0.79507064  0.14365078  0.45775195  1
  C  C67  1  0.20695592  0.85606521  0.54408911  1
  C  C68  1  0.19449333  0.34042411  0.47409807  1
  C  C69  1  0.80579973  0.65845286  0.51974583  1
  C  C70  1  0.80850273  0.34618296  0.47920421  1
  C  C71  1  0.19146730  0.65273643  0.51188926  1
  C  C72  1  0.17920931  0.13797045  0.45508917  1
  C  C73  1  0.82305724  0.86133998  0.54660324  1
  C  C74  1  0.64940520  0.49730385  0.32302141  1
  C  C75  1  0.35254144  0.50238315  0.67766955  1
  C  C76  1  0.65487170  0.47963527  0.23570215  1
  C  C77  1  0.34722943  0.51976148  0.76516633  1
  C  C78  1  0.49430070  0.44289366  0.18176467  1
  C  C79  1  0.50607069  0.55699790  0.81975279  1
  C  C80  1  0.33138867  0.43001073  0.22073702  1
  C  C81  1  0.66668851  0.57082761  0.77988922  1
  C  C82  1  0.33605483  0.45065501  0.30872421  1
  C  C83  1  0.66066453  0.55127006  0.69173664  1
  C  C84  1  0.49728104  0.41627480  0.09317269  1
  C  C85  1  0.50337566  0.58297691  0.90866514  1
  C  C86  1  0.50251265  0.38115429  0.01602781  1
  C  C87  1  0.49783847  0.61799008  0.98588344  1
  C  C88  1  0.45917333  0.17749984  0.25261393  1
  C  C89  1  0.54078830  0.82245539  0.74746319  1
  C  C90  1  0.30173104  0.12631799  0.21241646  1
  C  C91  1  0.69815424  0.87368438  0.78769095  1
  C  C92  1  0.28449853  0.09238439  0.12335273  1
  C  C93  1  0.71529231  0.90758922  0.87675166  1
  C  C94  1  0.42426711  0.11119021  0.07555876  1
  C  C95  1  0.57549931  0.88871710  0.92450115  1
  C  C96  1  0.60545131  0.19589528  0.20559418  1
  C  C97  1  0.39448394  0.80400041  0.79443107  1
  C  C98  1  0.76963972  0.24552783  0.24546641  1
  C  C99  1  0.23044832  0.75427283  0.75448735  1
  C  C100  1  0.91177355  0.26131441  0.19803496  1
  C  C101  1  0.08826842  0.73846070  0.80185479  1
  C  C102  1  0.89226610  0.23038681  0.10853199  1
  C  C103  1  0.10759036  0.76945360  0.89135857  1
  C  C104  1  0.73290348  0.18139265  0.06774006  1
  C  C105  1  0.26689841  0.81843131  0.93224953  1
  C  C106  1  0.58744848  0.16228209  0.11496164  1
  C  C107  1  0.41239928  0.83756629  0.88506712  1
  C  C108  1  0.04808406  0.20830483  0.83453818  1
  C  C109  1  0.95150963  0.79174312  0.16557959  1
  C  C110  1  0.09819741  0.13525534  0.88071048  1
  C  C111  1  0.90151126  0.86480037  0.11940374  1
  C  C112  1  0.12537737  0.04084056  0.83901944  1
  C  C113  1  0.87435157  0.95922597  0.16107857  1
  C  C114  1  0.10206174  0.01598364  0.74922207  1
  C  C115  1  0.89763355  0.98410563  0.25086865  1
  C  C116  1  0.05383694  0.08589200  0.70235533  1
  C  C117  1  0.94587794  0.91421605  0.29774800  1
  C  C118  1  0.02678929  0.18301167  0.74329997  1
  C  C119  1  0.97281525  0.81707332  0.25682429  1
  C  C120  1  0.97947707  0.25604450  0.69691838  1
  C  C121  1  0.02004874  0.74407734  0.30323923  1
  C  C122  1  0.95227660  0.35038017  0.73849979  1
  C  C123  1  0.04721695  0.64972761  0.26164518  1
  C  C124  1  0.97264227  0.37527197  0.82836836  1
  C  C125  1  0.02678145  0.62477435  0.17178390  1
  C  C126  1  0.02019990  0.30541494  0.87545481  1
  C  C127  1  0.97930057  0.69461597  0.12467226  1
  N  N128  1  0.51806403  0.10272020  0.62040316  1
  N  N129  1  0.48303146  0.89788765  0.38124595  1
  N  N130  1  0.68107061  0.08484203  0.45809222  1
  N  N131  1  0.32109585  0.91496198  0.54419242  1
  N  N132  1  0.31522690  0.39788329  0.47996550  1
  N  N133  1  0.68382387  0.60101939  0.51016978  1
  N  N134  1  0.69443340  0.40557080  0.48993743  1
  N  N135  1  0.30429807  0.59315047  0.49788302  1
  N  N136  1  0.49274019  0.48285981  0.36020869  1
  N  N137  1  0.50608025  0.51816490  0.63941430  1
  N  N138  1  0.28930873  0.07692460  0.45380516  1
  N  N139  1  0.71302682  0.92250723  0.54887003  1
