# generated using pymatgen
data_NiH18PdC30(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48496698
_cell_length_b   13.98004314
_cell_length_c   14.88276460
_cell_angle_alpha   87.37685509
_cell_angle_beta   83.15486287
_cell_angle_gamma   89.60633811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH18PdC30(N2O)4
_chemical_formula_sum   'Ni2 H36 Pd2 C60 N16 O8'
_cell_volume   1544.61231111
_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
  Ni  Ni0  1  0.49999867  0.49999938  0.49999870  1
  Ni  Ni1  1  0.49999791  0.00000217  0.49999774  1
  H  H2  1  0.53250938  0.47685273  0.29785650  1
  H  H3  1  0.46748982  0.52314639  0.70214142  1
  H  H4  1  0.53796255  0.57444879  0.15390692  1
  H  H5  1  0.46202795  0.42554990  0.84609117  1
  H  H6  1  0.50260494  0.82591021  0.31376511  1
  H  H7  1  0.49740440  0.17408923  0.68623163  1
  H  H8  1  0.50330581  0.71906090  0.44944336  1
  H  H9  1  0.49670422  0.28093873  0.55055417  1
  H  H10  1  0.77492540  0.00388896  0.64021192  1
  H  H11  1  0.22507483  0.99611250  0.35979162  1
  H  H12  1  0.78222345  0.96078875  0.80233031  1
  H  H13  1  0.21777156  0.03920880  0.19767147  1
  H  H14  1  0.20077656  0.95375209  0.83237563  1
  H  H15  1  0.79921724  0.04625316  0.16762345  1
  H  H16  1  0.21580683  0.99686661  0.66886709  1
  H  H17  1  0.78419159  0.00314106  0.33113295  1
  H  H18  1  0.01571576  0.71801953  0.06852214  1
  H  H19  1  0.98428605  0.28197677  0.93147759  1
  H  H20  1  0.02609822  0.54056905  0.08357915  1
  H  H21  1  0.97390704  0.45942831  0.91642060  1
  H  H22  1  0.03755267  0.45859525  0.23542323  1
  H  H23  1  0.96245018  0.54140167  0.76457674  1
  H  H24  1  0.03585511  0.55477107  0.37155744  1
  H  H25  1  0.96414734  0.44522572  0.62844263  1
  H  H26  1  0.02728875  0.73290258  0.35612835  1
  H  H27  1  0.97270920  0.26709407  0.64387224  1
  H  H28  1  0.23800373  0.26364987  0.24221152  1
  H  H29  1  0.76200844  0.73635413  0.75779853  1
  H  H30  1  0.48900354  0.23506391  0.33619880  1
  H  H31  1  0.51101596  0.76494141  0.66380684  1
  H  H32  1  0.79861267  0.28861751  0.27753094  1
  H  H33  1  0.20140446  0.71138456  0.72246809  1
  H  H34  1  0.85525746  0.37514423  0.12661750  1
  H  H35  1  0.14475289  0.62485031  0.87337707  1
  H  H36  1  0.60207072  0.41013026  0.03602252  1
  H  H37  1  0.39793193  0.58986435  0.96397685  1
  Pd  Pd38  1  0.00928650  0.25835714  0.45909147  1
  Pd  Pd39  1  0.99071223  0.74164392  0.54090047  1
  C  C40  1  0.52642067  0.55445608  0.29858484  1
  C  C41  1  0.47357721  0.44554283  0.70141333  1
  C  C42  1  0.52810205  0.60858471  0.21822967  1
  C  C43  1  0.47189225  0.39141390  0.78176870  1
  C  C44  1  0.51755937  0.70920023  0.22117658  1
  C  C45  1  0.48243897  0.29079847  0.77882135  1
  C  C46  1  0.50894780  0.74900848  0.30709066  1
  C  C47  1  0.49105657  0.25099069  0.69290713  1
  C  C48  1  0.50950516  0.68865561  0.38322011  1
  C  C49  1  0.49049990  0.31134368  0.61677769  1
  C  C50  1  0.51242732  0.76673920  0.14216584  1
  C  C51  1  0.48756456  0.23325824  0.85783269  1
  C  C52  1  0.50575917  0.81614471  0.07142418  1
  C  C53  1  0.49422644  0.18385471  0.92857520  1
  C  C54  1  0.17673731  0.64005714  0.55575985  1
  C  C55  1  0.82325713  0.35994139  0.44423383  1
  C  C56  1  0.19346243  0.15982507  0.48716016  1
  C  C57  1  0.80653750  0.84017728  0.51283332  1
  C  C58  1  0.81438509  0.15879045  0.47519965  1
  C  C59  1  0.18561194  0.84121203  0.52479349  1
  C  C60  1  0.20126664  0.35916481  0.44891444  1
  C  C61  1  0.79873199  0.64083616  0.55108090  1
  C  C62  1  0.64983566  0.99044179  0.68395291  1
  C  C63  1  0.35016269  0.00955999  0.31604906  1
  C  C64  1  0.65483092  0.96567233  0.77463700  1
  C  C65  1  0.34516430  0.03432906  0.22536526  1
  C  C66  1  0.49151744  0.94672522  0.83060065  1
  C  C67  1  0.50847597  0.05328014  0.16940142  1
  C  C68  1  0.32999056  0.96186644  0.79134857  1
  C  C69  1  0.67000477  0.03813967  0.20865196  1
  C  C70  1  0.33923015  0.98651307  0.69985641  1
  C  C71  1  0.66076794  0.01349237  0.30014366  1
  C  C72  1  0.49066487  0.90972316  0.91969783  1
  C  C73  1  0.50932934  0.09028264  0.08030411  1
  C  C74  1  0.49764879  0.86638091  0.99356378  1
  C  C75  1  0.50233698  0.13361936  0.00643686  1
  C  C76  1  0.02226219  0.73533594  0.21164006  1
  C  C77  1  0.97773625  0.26466093  0.78836023  1
  C  C78  1  0.02184863  0.68167778  0.13423467  1
  C  C79  1  0.97815422  0.31831905  0.86576524  1
  C  C80  1  0.02708281  0.58248342  0.14335558  1
  C  C81  1  0.97292055  0.41751349  0.85664450  1
  C  C82  1  0.03317491  0.53646543  0.22853081  1
  C  C83  1  0.96682678  0.46353143  0.77146923  1
  C  C84  1  0.03265023  0.59056946  0.30522028  1
  C  C85  1  0.96735117  0.40942745  0.69477983  1
  C  C86  1  0.02734218  0.68973174  0.29724408  1
  C  C87  1  0.97265774  0.31026520  0.70275605  1
  C  C88  1  0.40633820  0.33826970  0.13375194  1
  C  C89  1  0.59366833  0.66173149  0.86625444  1
  C  C90  1  0.37332313  0.28853414  0.21839809  1
  C  C91  1  0.62668834  0.71146990  0.78160976  1
  C  C92  1  0.51422260  0.27218544  0.26989088  1
  C  C93  1  0.48579275  0.72781911  0.73011436  1
  C  C94  1  0.68810206  0.30275472  0.23713275  1
  C  C95  1  0.31191264  0.69724750  0.76286805  1
  C  C96  1  0.71967418  0.35230127  0.15287268  1
  C  C97  1  0.28033628  0.64769721  0.84712611  1
  C  C98  1  0.57985607  0.37144586  0.10138114  1
  C  C99  1  0.42014983  0.62855265  0.89862042  1
  N  N100  1  0.51590575  0.59248477  0.38042982  1
  N  N101  1  0.48409448  0.40751448  0.61956820  1
  N  N102  1  0.29146114  0.58245214  0.55607903  1
  N  N103  1  0.70853294  0.41754662  0.44391839  1
  N  N104  1  0.30462621  0.10345750  0.50143056  1
  N  N105  1  0.69537339  0.89654579  0.49856521  1
  N  N106  1  0.69782333  0.10221387  0.48555125  1
  N  N107  1  0.30217142  0.89779007  0.51444394  1
  N  N108  1  0.49582508  0.99773404  0.64536107  1
  N  N109  1  0.50417440  0.00226970  0.35463977  1
  N  N110  1  0.31550147  0.41567022  0.45129535  1
  N  N111  1  0.68449813  0.58432947  0.54870251  1
  N  N112  1  0.01679575  0.83856429  0.20376967  1
  N  N113  1  0.98319505  0.16143261  0.79623079  1
  N  N114  1  0.26343731  0.35377563  0.07926167  1
  N  N115  1  0.73656397  0.64622356  0.92074754  1
  O  O116  1  0.01629338  0.88313282  0.27477817  1
  O  O117  1  0.98368212  0.11686419  0.72522292  1
  O  O118  1  0.01289717  0.87780696  0.12751634  1
  O  O119  1  0.98710070  0.12218966  0.87248348  1
  O  O120  1  0.12253129  0.30546727  0.09853451  1
  O  O121  1  0.87747325  0.69452996  0.90147750  1
  O  O122  1  0.28578884  0.41445112  0.01432721  1
  O  O123  1  0.71420556  0.58554766  0.98568155  1
