# generated using pymatgen
data_MnH18PdC30(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48546252
_cell_length_b   13.98089734
_cell_length_c   14.88329948
_cell_angle_alpha   87.37767123
_cell_angle_beta   83.15445056
_cell_angle_gamma   89.60617075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH18PdC30(N2O)4
_chemical_formula_sum   'Mn2 H36 Pd2 C60 N16 O8'
_cell_volume   1544.86413785
_cell_formula_units_Z   2
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  0.49999907  0.49999902  0.49999873  1
  Mn  Mn1  1  0.49999798  0.00000257  0.49999762  1
  H  H2  1  0.53257930  0.47669122  0.29735317  1
  H  H3  1  0.46742003  0.52330780  0.70264470  1
  H  H4  1  0.53792959  0.57438748  0.15370125  1
  H  H5  1  0.46206090  0.42561118  0.84629693  1
  H  H6  1  0.50257114  0.82607358  0.31350037  1
  H  H7  1  0.49743813  0.17392600  0.68649601  1
  H  H8  1  0.50321653  0.71922728  0.44952371  1
  H  H9  1  0.49679352  0.28077237  0.55047390  1
  H  H10  1  0.77592172  0.00377901  0.64053172  1
  H  H11  1  0.22407738  0.99622248  0.35947185  1
  H  H12  1  0.78260534  0.96069039  0.80248296  1
  H  H13  1  0.21738970  0.03930705  0.19751874  1
  H  H14  1  0.20039453  0.95365649  0.83253759  1
  H  H15  1  0.79959870  0.04634876  0.16746141  1
  H  H16  1  0.21490519  0.99672124  0.66921314  1
  H  H17  1  0.78509498  0.00328606  0.33078657  1
  H  H18  1  0.01578727  0.71814096  0.06867924  1
  H  H19  1  0.98421450  0.28185527  0.93132049  1
  H  H20  1  0.02600746  0.54051482  0.08366796  1
  H  H21  1  0.97399847  0.45948243  0.91633173  1
  H  H22  1  0.03734942  0.45854508  0.23543662  1
  H  H23  1  0.96265352  0.54145183  0.76456339  1
  H  H24  1  0.03587494  0.55475624  0.37150708  1
  H  H25  1  0.96412756  0.44524052  0.62849294  1
  H  H26  1  0.02719119  0.73299323  0.35598453  1
  H  H27  1  0.97280671  0.26700347  0.64401615  1
  H  H28  1  0.23798303  0.26374974  0.24218332  1
  H  H29  1  0.76202931  0.73625423  0.75782656  1
  H  H30  1  0.48928105  0.23508309  0.33610512  1
  H  H31  1  0.51073851  0.76492198  0.66390042  1
  H  H32  1  0.79870671  0.28863420  0.27756399  1
  H  H33  1  0.20131111  0.71136714  0.72243442  1
  H  H34  1  0.85532277  0.37522924  0.12673216  1
  H  H35  1  0.14468783  0.62476522  0.87326216  1
  H  H36  1  0.60203512  0.41009275  0.03608464  1
  H  H37  1  0.39796732  0.58990181  0.96391456  1
  Pd  Pd38  1  0.00937093  0.25850181  0.45920547  1
  Pd  Pd39  1  0.99062811  0.74149925  0.54078610  1
  C  C40  1  0.52654246  0.55432919  0.29805407  1
  C  C41  1  0.47345527  0.44566993  0.70194417  1
  C  C42  1  0.52814868  0.60856911  0.21802989  1
  C  C43  1  0.47184541  0.39142905  0.78196824  1
  C  C44  1  0.51761187  0.70923966  0.22103363  1
  C  C45  1  0.48238663  0.29075871  0.77896511  1
  C  C46  1  0.50903975  0.74919514  0.30692013  1
  C  C47  1  0.49096458  0.25080406  0.69307753  1
  C  C48  1  0.50954691  0.68923069  0.38312177  1
  C  C49  1  0.49045823  0.31076877  0.61687593  1
  C  C50  1  0.51242195  0.76672966  0.14220192  1
  C  C51  1  0.48757051  0.23326864  0.85779611  1
  C  C52  1  0.50566689  0.81620949  0.07132020  1
  C  C53  1  0.49431831  0.18378920  0.92868035  1
  C  C54  1  0.17561199  0.64083611  0.55570816  1
  C  C55  1  0.82438207  0.35916294  0.44428633  1
  C  C56  1  0.19226839  0.16049546  0.48650983  1
  C  C57  1  0.80773136  0.83950704  0.51348334  1
  C  C58  1  0.81610969  0.15972892  0.47493942  1
  C  C59  1  0.18388781  0.84027337  0.52505335  1
  C  C60  1  0.20007896  0.35848628  0.44907867  1
  C  C61  1  0.79991908  0.64151468  0.55091658  1
  C  C62  1  0.65081453  0.99036717  0.68430758  1
  C  C63  1  0.34918297  0.00963440  0.31569453  1
  C  C64  1  0.65516693  0.96579347  0.77482043  1
  C  C65  1  0.34482706  0.03420788  0.22518174  1
  C  C66  1  0.49153146  0.94679868  0.83062933  1
  C  C67  1  0.50846200  0.05320655  0.16937317  1
  C  C68  1  0.32969661  0.96197171  0.79158755  1
  C  C69  1  0.67029843  0.03803456  0.20841341  1
  C  C70  1  0.33837014  0.98640842  0.70026774  1
  C  C71  1  0.66162825  0.01359696  0.29973257  1
  C  C72  1  0.49077477  0.90966795  0.91955122  1
  C  C73  1  0.50922071  0.09033859  0.08045125  1
  C  C74  1  0.49764837  0.86629960  0.99350503  1
  C  C75  1  0.50233724  0.13370024  0.00649516  1
  C  C76  1  0.02229294  0.73536820  0.21165073  1
  C  C77  1  0.97770579  0.26462871  0.78834960  1
  C  C78  1  0.02189572  0.68168223  0.13429367  1
  C  C79  1  0.97810744  0.31831470  0.86570650  1
  C  C80  1  0.02710625  0.58246581  0.14338123  1
  C  C81  1  0.97289699  0.41753119  0.85661884  1
  C  C82  1  0.03315920  0.53645985  0.22855567  1
  C  C83  1  0.96684213  0.46353706  0.77144436  1
  C  C84  1  0.03267502  0.59054651  0.30522206  1
  C  C85  1  0.96732632  0.40945018  0.69477826  1
  C  C86  1  0.02733934  0.68977194  0.29718211  1
  C  C87  1  0.97266093  0.31022503  0.70281829  1
  C  C88  1  0.40621698  0.33826381  0.13375375  1
  C  C89  1  0.59379000  0.66173767  0.86625242  1
  C  C90  1  0.37331605  0.28857545  0.21839925  1
  C  C91  1  0.62669480  0.71142868  0.78160875  1
  C  C92  1  0.51430663  0.27220479  0.26988632  1
  C  C93  1  0.48570852  0.72779994  0.73011856  1
  C  C94  1  0.68819308  0.30283795  0.23711769  1
  C  C95  1  0.31182087  0.69716419  0.76288304  1
  C  C96  1  0.71967222  0.35240352  0.15288531  1
  C  C97  1  0.28033787  0.64759494  0.84711372  1
  C  C98  1  0.57969019  0.37145651  0.10143357  1
  C  C99  1  0.42031620  0.62854218  0.89856785  1
  N  N100  1  0.51605021  0.59278125  0.38005646  1
  N  N101  1  0.48395006  0.40721785  0.61994169  1
  N  N102  1  0.28890019  0.58278702  0.55891660  1
  N  N103  1  0.71109434  0.41721266  0.44108130  1
  N  N104  1  0.30268970  0.10450626  0.50256889  1
  N  N105  1  0.69731096  0.89549739  0.49742611  1
  N  N106  1  0.69969636  0.10318858  0.48542673  1
  N  N107  1  0.30029748  0.89681569  0.51456862  1
  N  N108  1  0.49582080  0.99740306  0.64584241  1
  N  N109  1  0.50417892  0.00260042  0.35415844  1
  N  N110  1  0.31458855  0.41538477  0.44886933  1
  N  N111  1  0.68541106  0.58461477  0.55112826  1
  N  N112  1  0.01683897  0.83850730  0.20378473  1
  N  N113  1  0.98315177  0.16148945  0.79621557  1
  N  N114  1  0.26345792  0.35371880  0.07930887  1
  N  N115  1  0.73654297  0.64628021  0.92070046  1
  O  O116  1  0.01642065  0.88303924  0.27484355  1
  O  O117  1  0.98355482  0.11695781  0.72515755  1
  O  O118  1  0.01290046  0.87773888  0.12747768  1
  O  O119  1  0.98709736  0.12225767  0.87252211  1
  O  O120  1  0.12273060  0.30526598  0.09859509  1
  O  O121  1  0.87727412  0.69473112  0.90141692  1
  O  O122  1  0.28584114  0.41452620  0.01445185  1
  O  O123  1  0.71415231  0.58547277  0.98555691  1
