# generated using pymatgen
data_Ni503H168
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.44834772
_cell_length_b   19.46357569
_cell_length_c   18.33783166
_cell_angle_alpha   103.92355873
_cell_angle_beta   90.01995590
_cell_angle_gamma   90.06712769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni503H168
_chemical_formula_sum   'Ni503 H168'
_cell_volume   6044.67145055
_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
  Ni  Ni1  1  0.036091  0.032597  0.284804  1
  Ni  Ni2  1  0.036013  0.021451  0.618827  1
  Ni  Ni3  1  0.036022  0.021772  0.952139  1
  Ni  Ni4  1  0.035690  0.265398  0.285458  1
  Ni  Ni5  1  0.035740  0.272060  0.619193  1
  Ni  Ni6  1  0.035771  0.272065  0.951230  1
  Ni  Ni7  1  0.035842  0.520702  0.285161  1
  Ni  Ni8  1  0.035854  0.521728  0.618318  1
  Ni  Ni9  1  0.035850  0.522097  0.951942  1
  Ni  Ni10  1  0.035945  0.773368  0.284876  1
  Ni  Ni11  1  0.035941  0.771564  0.618378  1
  Ni  Ni12  1  0.035936  0.772240  0.952286  1
  Ni  Ni13  1  0.179984  0.021745  0.285529  1
  Ni  Ni14  1  0.178895  0.021388  0.618608  1
  Ni  Ni15  1  0.178692  0.021532  0.952116  1
  Ni  Ni16  1  0.178806  0.271191  0.285112  1
  Ni  Ni17  1  0.178842  0.271638  0.618734  1
  Ni  Ni18  1  0.178850  0.271742  0.951449  1
  Ni  Ni19  1  0.178689  0.521361  0.285087  1
  Ni  Ni20  1  0.178657  0.521494  0.618273  1
  Ni  Ni21  1  0.178737  0.521800  0.951842  1
  Ni  Ni22  1  0.178783  0.771670  0.285092  1
  Ni  Ni23  1  0.178742  0.771449  0.618360  1
  Ni  Ni24  1  0.178812  0.771857  0.951946  1
  Ni  Ni25  1  0.322202  0.021189  0.284797  1
  Ni  Ni26  1  0.321753  0.021278  0.618312  1
  Ni  Ni27  1  0.321693  0.021277  0.951719  1
  Ni  Ni28  1  0.321410  0.271116  0.284861  1
  Ni  Ni29  1  0.321543  0.271156  0.618108  1
  Ni  Ni30  1  0.321626  0.271279  0.951713  1
  Ni  Ni31  1  0.321537  0.521198  0.285027  1
  Ni  Ni32  1  0.321525  0.521190  0.618177  1
  Ni  Ni33  1  0.321609  0.521275  0.951664  1
  Ni  Ni34  1  0.321660  0.771240  0.285048  1
  Ni  Ni35  1  0.321593  0.771263  0.618347  1
  Ni  Ni36  1  0.321654  0.771233  0.951637  1
  Ni  Ni37  1  0.464761  0.020932  0.284672  1
  Ni  Ni38  1  0.464600  0.021168  0.618215  1
  Ni  Ni39  1  0.464586  0.021079  0.951621  1
  Ni  Ni40  1  0.464263  0.271005  0.284831  1
  Ni  Ni41  1  0.464340  0.270990  0.617927  1
  Ni  Ni42  1  0.464394  0.271055  0.951742  1
  Ni  Ni43  1  0.464403  0.521069  0.284980  1
  Ni  Ni44  1  0.464402  0.521024  0.618109  1
  Ni  Ni45  1  0.464437  0.521001  0.951557  1
  Ni  Ni46  1  0.464516  0.771043  0.284963  1
  Ni  Ni47  1  0.464488  0.771145  0.618291  1
  Ni  Ni48  1  0.464510  0.770981  0.951477  1
  Ni  Ni49  1  0.607412  0.020934  0.284662  1
  Ni  Ni50  1  0.607434  0.021178  0.618208  1
  Ni  Ni51  1  0.607461  0.021081  0.951621  1
  Ni  Ni52  1  0.607189  0.271015  0.284834  1
  Ni  Ni53  1  0.607156  0.270997  0.617927  1
  Ni  Ni54  1  0.607170  0.271057  0.951745  1
  Ni  Ni55  1  0.607280  0.521078  0.284979  1
  Ni  Ni56  1  0.607289  0.521034  0.618115  1
  Ni  Ni57  1  0.607260  0.521004  0.951559  1
  Ni  Ni58  1  0.607369  0.771051  0.284963  1
  Ni  Ni59  1  0.607389  0.771155  0.618290  1
  Ni  Ni60  1  0.607356  0.770984  0.951476  1
  Ni  Ni61  1  0.749983  0.021185  0.284755  1
  Ni  Ni62  1  0.750279  0.021304  0.618295  1
  Ni  Ni63  1  0.750351  0.021277  0.951718  1
  Ni  Ni64  1  0.750034  0.271145  0.284872  1
  Ni  Ni65  1  0.749950  0.271175  0.618110  1
  Ni  Ni66  1  0.749937  0.271279  0.951724  1
  Ni  Ni67  1  0.750148  0.521219  0.285023  1
  Ni  Ni68  1  0.750169  0.521217  0.618193  1
  Ni  Ni69  1  0.750090  0.521279  0.951671  1
  Ni  Ni70  1  0.750227  0.771257  0.285048  1
  Ni  Ni71  1  0.750284  0.771287  0.618344  1
  Ni  Ni72  1  0.750213  0.771236  0.951633  1
  Ni  Ni73  1  0.892185  0.021704  0.285479  1
  Ni  Ni74  1  0.893133  0.021419  0.618577  1
  Ni  Ni75  1  0.893344  0.021525  0.952106  1
  Ni  Ni76  1  0.892612  0.271248  0.285134  1
  Ni  Ni77  1  0.892651  0.271653  0.618730  1
  Ni  Ni78  1  0.892709  0.271732  0.951471  1
  Ni  Ni79  1  0.892998  0.521386  0.285081  1
  Ni  Ni80  1  0.893043  0.521523  0.618290  1
  Ni  Ni81  1  0.892963  0.521799  0.951849  1
  Ni  Ni82  1  0.893105  0.771685  0.285090  1
  Ni  Ni83  1  0.893138  0.771474  0.618356  1
  Ni  Ni84  1  0.893060  0.771855  0.951941  1
  Ni  Ni85  1  0.036105  0.072772  0.166365  1
  Ni  Ni86  1  0.036157  0.057908  0.492268  1
  Ni  Ni87  1  0.036098  0.058325  0.824619  1
  Ni  Ni88  1  0.035853  0.309254  0.157412  1
  Ni  Ni89  1  0.035823  0.309482  0.492183  1
  Ni  Ni90  1  0.035865  0.308802  0.824483  1
  Ni  Ni91  1  0.035941  0.558473  0.158204  1
  Ni  Ni92  1  0.035939  0.558322  0.491033  1
  Ni  Ni93  1  0.035943  0.558862  0.824765  1
  Ni  Ni94  1  0.036028  0.809722  0.158541  1
  Ni  Ni95  1  0.036038  0.808503  0.491128  1
  Ni  Ni96  1  0.036024  0.808914  0.825131  1
  Ni  Ni97  1  0.180206  0.058689  0.157423  1
  Ni  Ni98  1  0.179185  0.057994  0.491628  1
  Ni  Ni99  1  0.179021  0.058215  0.824637  1
  Ni  Ni100  1  0.178604  0.308759  0.157797  1
  Ni  Ni101  1  0.178375  0.307903  0.491054  1
  Ni  Ni102  1  0.178893  0.308554  0.824506  1
  Ni  Ni103  1  0.178811  0.558341  0.158013  1
  Ni  Ni104  1  0.178696  0.558195  0.491030  1
  Ni  Ni105  1  0.178925  0.558605  0.824654  1
  Ni  Ni106  1  0.179006  0.808675  0.158102  1
  Ni  Ni107  1  0.178828  0.808359  0.491083  1
  Ni  Ni108  1  0.178941  0.808778  0.825039  1
  Ni  Ni109  1  0.322387  0.057689  0.157889  1
  Ni  Ni110  1  0.321947  0.058203  0.491018  1
  Ni  Ni111  1  0.321877  0.058100  0.824532  1
  Ni  Ni112  1  0.321434  0.307848  0.157879  1
  Ni  Ni113  1  0.321114  0.307468  0.490593  1
  Ni  Ni114  1  0.321768  0.308152  0.824468  1
  Ni  Ni115  1  0.321712  0.558069  0.157862  1
  Ni  Ni116  1  0.321596  0.558033  0.491088  1
  Ni  Ni117  1  0.321774  0.558079  0.824412  1
  Ni  Ni118  1  0.321938  0.807969  0.157868  1
  Ni  Ni119  1  0.321731  0.808103  0.491154  1
  Ni  Ni120  1  0.321792  0.808076  0.824506  1
  Ni  Ni121  1  0.464866  0.057567  0.157773  1
  Ni  Ni122  1  0.464765  0.058019  0.490878  1
  Ni  Ni123  1  0.464698  0.057991  0.824456  1
  Ni  Ni124  1  0.464397  0.307724  0.157857  1
  Ni  Ni125  1  0.464211  0.307492  0.490580  1
  Ni  Ni126  1  0.464512  0.307925  0.824405  1
  Ni  Ni127  1  0.464536  0.557881  0.157798  1
  Ni  Ni128  1  0.464490  0.557902  0.491046  1
  Ni  Ni129  1  0.464555  0.557793  0.824294  1
  Ni  Ni130  1  0.464668  0.807788  0.157716  1
  Ni  Ni131  1  0.464605  0.807980  0.491116  1
  Ni  Ni132  1  0.464619  0.807870  0.824355  1
  Ni  Ni133  1  0.607428  0.057576  0.157778  1
  Ni  Ni134  1  0.607572  0.058043  0.490865  1
  Ni  Ni135  1  0.607502  0.057996  0.824456  1
  Ni  Ni136  1  0.607340  0.307727  0.157860  1
  Ni  Ni137  1  0.607380  0.307516  0.490594  1
  Ni  Ni138  1  0.607219  0.307930  0.824409  1
  Ni  Ni139  1  0.607340  0.557888  0.157799  1
  Ni  Ni140  1  0.607375  0.557913  0.491049  1
  Ni  Ni141  1  0.607321  0.557801  0.824298  1
  Ni  Ni142  1  0.607387  0.807794  0.157715  1
  Ni  Ni143  1  0.607468  0.807991  0.491114  1
  Ni  Ni144  1  0.607437  0.807877  0.824356  1
  Ni  Ni145  1  0.749913  0.057714  0.157912  1
  Ni  Ni146  1  0.750391  0.058266  0.490987  1
  Ni  Ni147  1  0.750322  0.058112  0.824535  1
  Ni  Ni148  1  0.750300  0.307851  0.157891  1
  Ni  Ni149  1  0.750476  0.307542  0.490637  1
  Ni  Ni150  1  0.749964  0.308162  0.824478  1
  Ni  Ni151  1  0.750166  0.558083  0.157864  1
  Ni  Ni152  1  0.750271  0.558062  0.491095  1
  Ni  Ni153  1  0.750105  0.558097  0.824422  1
  Ni  Ni154  1  0.750119  0.807980  0.157865  1
  Ni  Ni155  1  0.750345  0.808134  0.491147  1
  Ni  Ni156  1  0.750261  0.808090  0.824506  1
  Ni  Ni157  1  0.892064  0.058711  0.157459  1
  Ni  Ni158  1  0.893160  0.058113  0.491553  1
  Ni  Ni159  1  0.893177  0.058227  0.824639  1
  Ni  Ni160  1  0.893130  0.308720  0.157824  1
  Ni  Ni161  1  0.893228  0.308004  0.491122  1
  Ni  Ni162  1  0.892837  0.308558  0.824517  1
  Ni  Ni163  1  0.893070  0.558352  0.158014  1
  Ni  Ni164  1  0.893177  0.558225  0.491038  1
  Ni  Ni165  1  0.892958  0.558619  0.824662  1
  Ni  Ni166  1  0.893054  0.808692  0.158101  1
  Ni  Ni167  1  0.893250  0.808395  0.491074  1
  Ni  Ni168  1  0.893108  0.808787  0.825038  1
  Ni  Ni169  1  0.035654  0.143851  0.615002  1
  Ni  Ni170  1  0.035686  0.143977  0.947391  1
  Ni  Ni171  1  0.035684  0.390658  0.281242  1
  Ni  Ni172  1  0.035704  0.394241  0.614967  1
  Ni  Ni173  1  0.035704  0.394300  0.947735  1
  Ni  Ni174  1  0.035795  0.643969  0.281087  1
  Ni  Ni175  1  0.035790  0.643899  0.614347  1
  Ni  Ni176  1  0.035791  0.644317  0.948049  1
  Ni  Ni177  1  0.035907  0.897603  0.281015  1
  Ni  Ni178  1  0.035863  0.893727  0.614393  1
  Ni  Ni179  1  0.035887  0.894564  0.948716  1
  Ni  Ni180  1  0.164795  0.142696  0.279292  1
  Ni  Ni181  1  0.178566  0.143687  0.614627  1
  Ni  Ni182  1  0.178709  0.143759  0.947522  1
  Ni  Ni183  1  0.178331  0.393367  0.281020  1
  Ni  Ni184  1  0.178477  0.393689  0.614284  1
  Ni  Ni185  1  0.178535  0.394000  0.947699  1
  Ni  Ni186  1  0.178579  0.643690  0.281051  1
  Ni  Ni187  1  0.178514  0.643713  0.614321  1
  Ni  Ni188  1  0.178484  0.644025  0.947928  1
  Ni  Ni189  1  0.178619  0.893923  0.281085  1
  Ni  Ni190  1  0.178654  0.893619  0.614388  1
  Ni  Ni191  1  0.178046  0.894389  0.948723  1
  Ni  Ni192  1  0.315850  0.143198  0.280697  1
  Ni  Ni193  1  0.321359  0.143480  0.614226  1
  Ni  Ni194  1  0.321492  0.143506  0.947655  1
  Ni  Ni195  1  0.321209  0.393356  0.280972  1
  Ni  Ni196  1  0.321352  0.393275  0.613960  1
  Ni  Ni197  1  0.321384  0.393504  0.947649  1
  Ni  Ni198  1  0.321429  0.643435  0.281019  1
  Ni  Ni199  1  0.321364  0.643467  0.614298  1
  Ni  Ni200  1  0.321351  0.643468  0.947645  1
  Ni  Ni201  1  0.321469  0.893468  0.281028  1
  Ni  Ni202  1  0.321536  0.893474  0.614345  1
  Ni  Ni203  1  0.321264  0.893458  0.947660  1
  Ni  Ni204  1  0.462687  0.143143  0.280803  1
  Ni  Ni205  1  0.464219  0.143327  0.614060  1
  Ni  Ni206  1  0.464285  0.143308  0.947678  1
  Ni  Ni207  1  0.464191  0.393254  0.280942  1
  Ni  Ni208  1  0.464255  0.393135  0.613898  1
  Ni  Ni209  1  0.464258  0.393248  0.947614  1
  Ni  Ni210  1  0.464336  0.643285  0.280978  1
  Ni  Ni211  1  0.464313  0.643305  0.614225  1
  Ni  Ni212  1  0.464307  0.643199  0.947497  1
  Ni  Ni213  1  0.464425  0.893229  0.280900  1
  Ni  Ni214  1  0.464423  0.893377  0.614259  1
  Ni  Ni215  1  0.464354  0.893236  0.947498  1
  Ni  Ni216  1  0.608549  0.143162  0.280823  1
  Ni  Ni217  1  0.607107  0.143335  0.614059  1
  Ni  Ni218  1  0.607103  0.143311  0.947681  1
  Ni  Ni219  1  0.607183  0.393264  0.280945  1
  Ni  Ni220  1  0.607160  0.393147  0.613909  1
  Ni  Ni221  1  0.607155  0.393251  0.947618  1
  Ni  Ni222  1  0.607254  0.643293  0.280979  1
  Ni  Ni223  1  0.607277  0.643314  0.614227  1
  Ni  Ni224  1  0.607276  0.643203  0.947500  1
  Ni  Ni225  1  0.607394  0.893236  0.280899  1
  Ni  Ni226  1  0.607327  0.893387  0.614255  1
  Ni  Ni227  1  0.607417  0.893241  0.947500  1
  Ni  Ni228  1  0.755316  0.143263  0.280783  1
  Ni  Ni229  1  0.749964  0.143500  0.614222  1
  Ni  Ni230  1  0.749894  0.143509  0.947666  1
  Ni  Ni231  1  0.750165  0.393382  0.280980  1
  Ni  Ni232  1  0.750061  0.393309  0.613993  1
  Ni  Ni233  1  0.750029  0.393506  0.947661  1
  Ni  Ni234  1  0.750161  0.643455  0.281022  1
  Ni  Ni235  1  0.750223  0.643491  0.614302  1
  Ni  Ni236  1  0.750231  0.643475  0.947653  1
  Ni  Ni237  1  0.750350  0.893481  0.281029  1
  Ni  Ni238  1  0.750209  0.893501  0.614331  1
  Ni  Ni239  1  0.750505  0.893467  0.947663  1
  Ni  Ni240  1  0.906181  0.142816  0.279533  1
  Ni  Ni241  1  0.892746  0.143707  0.614622  1
  Ni  Ni242  1  0.892670  0.143758  0.947535  1
  Ni  Ni243  1  0.893044  0.393404  0.281024  1
  Ni  Ni244  1  0.892932  0.393728  0.614330  1
  Ni  Ni245  1  0.892874  0.393995  0.947710  1
  Ni  Ni246  1  0.893010  0.643711  0.281054  1
  Ni  Ni247  1  0.893068  0.643737  0.614325  1
  Ni  Ni248  1  0.893098  0.644026  0.947935  1
  Ni  Ni249  1  0.893200  0.893929  0.281087  1
  Ni  Ni250  1  0.893080  0.893647  0.614373  1
  Ni  Ni251  1  0.893723  0.894390  0.948724  1
  Ni  Ni252  1  0.107110  0.228628  0.051417  1
  Ni  Ni253  1  0.105699  0.227019  0.386301  1
  Ni  Ni254  1  0.107225  0.228079  0.719228  1
  Ni  Ni255  1  0.107215  0.478350  0.052478  1
  Ni  Ni256  1  0.107083  0.477377  0.385427  1
  Ni  Ni257  1  0.107276  0.478285  0.719160  1
  Ni  Ni258  1  0.107231  0.728531  0.052791  1
  Ni  Ni259  1  0.107189  0.728193  0.385357  1
  Ni  Ni260  1  0.107267  0.728178  0.719275  1
  Ni  Ni261  1  0.105889  0.980175  0.055543  1
  Ni  Ni262  1  0.107104  0.978691  0.385058  1
  Ni  Ni263  1  0.107424  0.977867  0.719168  1
  Ni  Ni264  1  0.249931  0.227885  0.052321  1
  Ni  Ni265  1  0.248186  0.227047  0.384712  1
  Ni  Ni266  1  0.250133  0.227825  0.719024  1
  Ni  Ni267  1  0.250069  0.477879  0.052342  1
  Ni  Ni268  1  0.249958  0.477582  0.385576  1
  Ni  Ni269  1  0.250073  0.477824  0.718852  1
  Ni  Ni270  1  0.250095  0.727900  0.052420  1
  Ni  Ni271  1  0.250089  0.727756  0.385615  1
  Ni  Ni272  1  0.250007  0.727863  0.719085  1
  Ni  Ni273  1  0.249977  0.977798  0.052347  1
  Ni  Ni274  1  0.250307  0.977777  0.385806  1
  Ni  Ni275  1  0.250294  0.977744  0.719043  1
  Ni  Ni276  1  0.392835  0.227457  0.052400  1
  Ni  Ni277  1  0.391889  0.227156  0.384919  1
  Ni  Ni278  1  0.392933  0.227600  0.718790  1
  Ni  Ni279  1  0.392939  0.477519  0.052266  1
  Ni  Ni280  1  0.392869  0.477486  0.385545  1
  Ni  Ni281  1  0.392918  0.477468  0.718677  1
  Ni  Ni282  1  0.393009  0.727483  0.052172  1
  Ni  Ni283  1  0.392998  0.727564  0.385613  1
  Ni  Ni284  1  0.392949  0.727553  0.718870  1
  Ni  Ni285  1  0.393036  0.977429  0.052133  1
  Ni  Ni286  1  0.393163  0.977551  0.385491  1
  Ni  Ni287  1  0.393126  0.977620  0.718909  1
  Ni  Ni288  1  0.535736  0.227371  0.052413  1
  Ni  Ni289  1  0.535647  0.227177  0.384976  1
  Ni  Ni290  1  0.535721  0.227515  0.718716  1
  Ni  Ni291  1  0.535804  0.477419  0.052233  1
  Ni  Ni292  1  0.535798  0.477438  0.385521  1
  Ni  Ni293  1  0.535803  0.477367  0.718636  1
  Ni  Ni294  1  0.535892  0.727370  0.052101  1
  Ni  Ni295  1  0.535900  0.727501  0.385591  1
  Ni  Ni296  1  0.535894  0.727466  0.718812  1
  Ni  Ni297  1  0.535998  0.977337  0.052090  1
  Ni  Ni298  1  0.536023  0.977477  0.385420  1
  Ni  Ni299  1  0.535973  0.977564  0.718863  1
  Ni  Ni300  1  0.678634  0.227460  0.052410  1
  Ni  Ni301  1  0.679392  0.227215  0.384960  1
  Ni  Ni302  1  0.678508  0.227610  0.718793  1
  Ni  Ni303  1  0.678668  0.477524  0.052272  1
  Ni  Ni304  1  0.678728  0.477511  0.385549  1
  Ni  Ni305  1  0.678688  0.477485  0.718691  1
  Ni  Ni306  1  0.678777  0.727489  0.052173  1
  Ni  Ni307  1  0.678801  0.727583  0.385613  1
  Ni  Ni308  1  0.678838  0.727568  0.718870  1
  Ni  Ni309  1  0.678962  0.977439  0.052144  1
  Ni  Ni310  1  0.678883  0.977579  0.385480  1
  Ni  Ni311  1  0.678818  0.977634  0.718903  1
  Ni  Ni312  1  0.821536  0.227876  0.052345  1
  Ni  Ni313  1  0.823054  0.227165  0.384811  1
  Ni  Ni314  1  0.821305  0.227839  0.719027  1
  Ni  Ni315  1  0.821539  0.477879  0.052351  1
  Ni  Ni316  1  0.821638  0.477624  0.385580  1
  Ni  Ni317  1  0.821537  0.477848  0.718875  1
  Ni  Ni318  1  0.821692  0.727904  0.052423  1
  Ni  Ni319  1  0.821710  0.727785  0.385616  1
  Ni  Ni320  1  0.821778  0.727884  0.719084  1
  Ni  Ni321  1  0.822015  0.977804  0.052366  1
  Ni  Ni322  1  0.821732  0.977822  0.385791  1
  Ni  Ni323  1  0.821643  0.977765  0.719031  1
  Ni  Ni324  1  0.964361  0.228606  0.051469  1
  Ni  Ni325  1  0.965510  0.227182  0.386423  1
  Ni  Ni326  1  0.964209  0.228084  0.719230  1
  Ni  Ni327  1  0.964393  0.478344  0.052482  1
  Ni  Ni328  1  0.964513  0.477417  0.385429  1
  Ni  Ni329  1  0.964344  0.478296  0.719172  1
  Ni  Ni330  1  0.964556  0.728529  0.052793  1
  Ni  Ni331  1  0.964611  0.728217  0.385356  1
  Ni  Ni332  1  0.964517  0.728188  0.719274  1
  Ni  Ni333  1  0.966092  0.980161  0.055526  1
  Ni  Ni334  1  0.964927  0.978742  0.385054  1
  Ni  Ni335  1  0.964501  0.977878  0.719161  1
  Ni  Ni336  1  0.106939  0.193943  0.177660  1
  Ni  Ni337  1  0.106781  0.191771  0.514234  1
  Ni  Ni338  1  0.107116  0.191264  0.846193  1
  Ni  Ni339  1  0.106988  0.440873  0.179768  1
  Ni  Ni340  1  0.107076  0.440961  0.512660  1
  Ni  Ni341  1  0.107104  0.441569  0.846324  1
  Ni  Ni342  1  0.107061  0.691597  0.179825  1
  Ni  Ni343  1  0.107182  0.691160  0.512609  1
  Ni  Ni344  1  0.107132  0.691521  0.846434  1
  Ni  Ni345  1  0.106665  0.943608  0.180547  1
  Ni  Ni346  1  0.107277  0.941191  0.512783  1
  Ni  Ni347  1  0.107228  0.941198  0.846434  1
  Ni  Ni348  1  0.249042  0.190519  0.179702  1
  Ni  Ni349  1  0.249543  0.190814  0.512613  1
  Ni  Ni350  1  0.250005  0.191004  0.846119  1
  Ni  Ni351  1  0.249843  0.440893  0.179513  1
  Ni  Ni352  1  0.249845  0.440806  0.512678  1
  Ni  Ni353  1  0.249926  0.441118  0.846134  1
  Ni  Ni354  1  0.249928  0.691016  0.179571  1
  Ni  Ni355  1  0.249986  0.690941  0.512754  1
  Ni  Ni356  1  0.249902  0.691040  0.846198  1
  Ni  Ni357  1  0.249987  0.940750  0.179528  1
  Ni  Ni358  1  0.250093  0.940854  0.512869  1
  Ni  Ni359  1  0.249983  0.940944  0.846324  1
  Ni  Ni360  1  0.392253  0.190296  0.179640  1
  Ni  Ni361  1  0.392556  0.190600  0.512358  1
  Ni  Ni362  1  0.392835  0.190775  0.846068  1
  Ni  Ni363  1  0.392751  0.440656  0.179478  1
  Ni  Ni364  1  0.392757  0.440603  0.512585  1
  Ni  Ni365  1  0.392809  0.440671  0.845971  1
  Ni  Ni366  1  0.392871  0.690646  0.179434  1
  Ni  Ni367  1  0.392878  0.690747  0.512770  1
  Ni  Ni368  1  0.392828  0.690643  0.846005  1
  Ni  Ni369  1  0.392948  0.940396  0.179303  1
  Ni  Ni370  1  0.392969  0.940807  0.512723  1
  Ni  Ni371  1  0.392911  0.940743  0.846107  1
  Ni  Ni372  1  0.535611  0.190240  0.179636  1
  Ni  Ni373  1  0.535602  0.190510  0.512287  1
  Ni  Ni374  1  0.535652  0.190682  0.846052  1
  Ni  Ni375  1  0.535704  0.440595  0.179459  1
  Ni  Ni376  1  0.535716  0.440560  0.512558  1
  Ni  Ni377  1  0.535717  0.440526  0.845930  1
  Ni  Ni378  1  0.535807  0.690558  0.179380  1
  Ni  Ni379  1  0.535807  0.690686  0.512751  1
  Ni  Ni380  1  0.535801  0.690522  0.845940  1
  Ni  Ni381  1  0.535925  0.940315  0.179243  1
  Ni  Ni382  1  0.535887  0.940733  0.512670  1
  Ni  Ni383  1  0.535880  0.940667  0.846047  1
  Ni  Ni384  1  0.678967  0.190290  0.179651  1
  Ni  Ni385  1  0.678643  0.190607  0.512350  1
  Ni  Ni386  1  0.678466  0.190779  0.846071  1
  Ni  Ni387  1  0.678659  0.440665  0.179481  1
  Ni  Ni388  1  0.678675  0.440629  0.512598  1
  Ni  Ni389  1  0.678625  0.440676  0.845979  1
  Ni  Ni390  1  0.678742  0.690655  0.179434  1
  Ni  Ni391  1  0.678735  0.690764  0.512770  1
  Ni  Ni392  1  0.678773  0.690649  0.846007  1
  Ni  Ni393  1  0.678903  0.940394  0.179296  1
  Ni  Ni394  1  0.678804  0.940836  0.512711  1
  Ni  Ni395  1  0.678848  0.940749  0.846104  1
  Ni  Ni396  1  0.822164  0.190476  0.179729  1
  Ni  Ni397  1  0.821644  0.190839  0.512597  1
  Ni  Ni398  1  0.821288  0.191008  0.846124  1
  Ni  Ni399  1  0.821569  0.440896  0.179517  1
  Ni  Ni400  1  0.821583  0.440849  0.512703  1
  Ni  Ni401  1  0.821503  0.441122  0.846145  1
  Ni  Ni402  1  0.821683  0.691026  0.179571  1
  Ni  Ni403  1  0.821623  0.690969  0.512754  1
  Ni  Ni404  1  0.821698  0.691046  0.846200  1
  Ni  Ni405  1  0.821862  0.940704  0.179505  1
  Ni  Ni406  1  0.821677  0.940914  0.512845  1
  Ni  Ni407  1  0.821775  0.940945  0.846317  1
  Ni  Ni408  1  0.964248  0.193736  0.177747  1
  Ni  Ni409  1  0.964388  0.191751  0.514208  1
  Ni  Ni410  1  0.964169  0.191261  0.846195  1
  Ni  Ni411  1  0.964424  0.440871  0.179768  1
  Ni  Ni412  1  0.964350  0.440988  0.512682  1
  Ni  Ni413  1  0.964321  0.441571  0.846331  1
  Ni  Ni414  1  0.964547  0.691599  0.179824  1
  Ni  Ni415  1  0.964423  0.691176  0.512609  1
  Ni  Ni416  1  0.964468  0.691523  0.846435  1
  Ni  Ni417  1  0.965187  0.943629  0.180539  1
  Ni  Ni418  1  0.964481  0.941226  0.512768  1
  Ni  Ni419  1  0.964531  0.941200  0.846431  1
  Ni  Ni420  1  0.107696  0.106415  0.055823  1
  Ni  Ni421  1  0.107728  0.106065  0.392040  1
  Ni  Ni422  1  0.107567  0.105749  0.723217  1
  Ni  Ni423  1  0.107377  0.356218  0.056095  1
  Ni  Ni424  1  0.107155  0.354978  0.389439  1
  Ni  Ni425  1  0.107486  0.356071  0.723259  1
  Ni  Ni426  1  0.107421  0.606179  0.056672  1
  Ni  Ni427  1  0.107340  0.605652  0.389505  1
  Ni  Ni428  1  0.107411  0.605964  0.723096  1
  Ni  Ni429  1  0.107996  0.856558  0.057017  1
  Ni  Ni430  1  0.107450  0.856334  0.389588  1
  Ni  Ni431  1  0.107469  0.855749  0.723154  1
  Ni  Ni432  1  0.250749  0.105704  0.056237  1
  Ni  Ni433  1  0.250092  0.105522  0.389434  1
  Ni  Ni434  1  0.250472  0.105561  0.723047  1
  Ni  Ni435  1  0.250257  0.355665  0.056272  1
  Ni  Ni436  1  0.250054  0.355290  0.389604  1
  Ni  Ni437  1  0.250446  0.355678  0.722956  1
  Ni  Ni438  1  0.250332  0.605674  0.056413  1
  Ni  Ni439  1  0.250230  0.605500  0.389617  1
  Ni  Ni440  1  0.250298  0.605613  0.722926  1
  Ni  Ni441  1  0.250704  0.855646  0.056446  1
  Ni  Ni442  1  0.250341  0.855585  0.389646  1
  Ni  Ni443  1  0.250331  0.855580  0.723044  1
  Ni  Ni444  1  0.393397  0.105275  0.056347  1
  Ni  Ni445  1  0.393170  0.105262  0.389231  1
  Ni  Ni446  1  0.393279  0.105412  0.722878  1
  Ni  Ni447  1  0.393064  0.355299  0.056359  1
  Ni  Ni448  1  0.392926  0.355201  0.389451  1
  Ni  Ni449  1  0.393166  0.355313  0.722701  1
  Ni  Ni450  1  0.393164  0.605311  0.056232  1
  Ni  Ni451  1  0.393094  0.605341  0.389592  1
  Ni  Ni452  1  0.393138  0.605305  0.722795  1
  Ni  Ni453  1  0.393346  0.855238  0.056132  1
  Ni  Ni454  1  0.393214  0.855367  0.389587  1
  Ni  Ni455  1  0.393195  0.855397  0.722922  1
  Ni  Ni456  1  0.536084  0.105190  0.056317  1
  Ni  Ni457  1  0.536164  0.105203  0.389108  1
  Ni  Ni458  1  0.536058  0.105353  0.722828  1
  Ni  Ni459  1  0.535878  0.355213  0.056344  1
  Ni  Ni460  1  0.535825  0.355163  0.389420  1
  Ni  Ni461  1  0.535859  0.355208  0.722645  1
  Ni  Ni462  1  0.535948  0.605202  0.056177  1
  Ni  Ni463  1  0.535945  0.605283  0.389572  1
  Ni  Ni464  1  0.535948  0.605211  0.722749  1
  Ni  Ni465  1  0.536034  0.855132  0.056055  1
  Ni  Ni466  1  0.536051  0.855296  0.389539  1
  Ni  Ni467  1  0.536039  0.855333  0.722869  1
  Ni  Ni468  1  0.678770  0.105276  0.056350  1
  Ni  Ni469  1  0.679178  0.105290  0.389177  1
  Ni  Ni470  1  0.678835  0.105422  0.722876  1
  Ni  Ni471  1  0.678694  0.355303  0.056365  1
  Ni  Ni472  1  0.678723  0.355234  0.389460  1
  Ni  Ni473  1  0.678554  0.355324  0.722708  1
  Ni  Ni474  1  0.678735  0.605316  0.056234  1
  Ni  Ni475  1  0.678797  0.605359  0.389593  1
  Ni  Ni476  1  0.678759  0.605320  0.722799  1
  Ni  Ni477  1  0.678722  0.855241  0.056126  1
  Ni  Ni478  1  0.678889  0.855389  0.389583  1
  Ni  Ni479  1  0.678883  0.855411  0.722917  1
  Ni  Ni480  1  0.821410  0.105694  0.056239  1
  Ni  Ni481  1  0.822263  0.105571  0.389346  1
  Ni  Ni482  1  0.821637  0.105574  0.723044  1
  Ni  Ni483  1  0.821501  0.355659  0.056288  1
  Ni  Ni484  1  0.821593  0.355352  0.389625  1
  Ni  Ni485  1  0.821277  0.355691  0.722967  1
  Ni  Ni486  1  0.821570  0.605676  0.056414  1
  Ni  Ni487  1  0.821663  0.605530  0.389618  1
  Ni  Ni488  1  0.821603  0.605633  0.722933  1
  Ni  Ni489  1  0.821364  0.855639  0.056425  1
  Ni  Ni490  1  0.821770  0.855620  0.389641  1
  Ni  Ni491  1  0.821745  0.855599  0.723036  1
  Ni  Ni492  1  0.964436  0.106393  0.055800  1
  Ni  Ni493  1  0.964736  0.106147  0.391864  1
  Ni  Ni494  1  0.964536  0.105753  0.723214  1
  Ni  Ni495  1  0.964370  0.356206  0.056103  1
  Ni  Ni496  1  0.964490  0.355047  0.389462  1
  Ni  Ni497  1  0.964238  0.356077  0.723267  1
  Ni  Ni498  1  0.964485  0.606176  0.056671  1
  Ni  Ni499  1  0.964555  0.605677  0.389506  1
  Ni  Ni500  1  0.964496  0.605974  0.723098  1
  Ni  Ni501  1  0.964070  0.856550  0.057013  1
  Ni  Ni502  1  0.964671  0.856366  0.389578  1
  Ni  Ni503  1  0.964605  0.855759  0.723151  1
  H  H504  1  0.109554  0.052113  0.226215  1
  H  H505  1  0.107526  0.061487  0.566562  1
  H  H506  1  0.107404  0.061238  0.899289  1
  H  H507  1  0.106261  0.307500  0.232403  1
  H  H508  1  0.107240  0.311460  0.566433  1
  H  H509  1  0.107320  0.311902  0.899152  1
  H  H510  1  0.107168  0.561237  0.232863  1
  H  H511  1  0.107256  0.561470  0.565827  1
  H  H512  1  0.107311  0.561777  0.899415  1
  H  H513  1  0.107318  0.813734  0.233358  1
  H  H514  1  0.107359  0.811260  0.565809  1
  H  H515  1  0.107311  0.812141  0.899912  1
  H  H516  1  0.248634  0.063562  0.233737  1
  H  H517  1  0.250403  0.061207  0.566065  1
  H  H518  1  0.250225  0.061024  0.899299  1
  H  H519  1  0.249805  0.311087  0.232582  1
  H  H520  1  0.249977  0.311080  0.565680  1
  H  H521  1  0.250252  0.311439  0.899189  1
  H  H522  1  0.250120  0.561155  0.232609  1
  H  H523  1  0.250062  0.561246  0.565809  1
  H  H524  1  0.250184  0.561357  0.899271  1
  H  H525  1  0.250254  0.811203  0.232604  1
  H  H526  1  0.250179  0.811131  0.565827  1
  H  H527  1  0.250122  0.811797  0.899639  1
  H  H528  1  0.392464  0.062291  0.233195  1
  H  H529  1  0.393164  0.060946  0.565676  1
  H  H530  1  0.393128  0.060984  0.899203  1
  H  H531  1  0.392817  0.310982  0.232542  1
  H  H532  1  0.392795  0.310766  0.565313  1
  H  H533  1  0.393030  0.310968  0.899192  1
  H  H534  1  0.392999  0.560980  0.232559  1
  H  H535  1  0.392955  0.561073  0.565798  1
  H  H536  1  0.393029  0.560951  0.899109  1
  H  H537  1  0.393137  0.810965  0.232573  1
  H  H538  1  0.393069  0.811028  0.565853  1
  H  H539  1  0.393055  0.811016  0.899152  1
  H  H540  1  0.535995  0.062027  0.233051  1
  H  H541  1  0.535994  0.060881  0.565609  1
  H  H542  1  0.535974  0.060905  0.899169  1
  H  H543  1  0.535767  0.310933  0.232550  1
  H  H544  1  0.535751  0.310721  0.565269  1
  H  H545  1  0.535793  0.310831  0.899180  1
  H  H546  1  0.535863  0.560915  0.232540  1
  H  H547  1  0.535864  0.560989  0.565769  1
  H  H548  1  0.535866  0.560821  0.899059  1
  H  H549  1  0.535963  0.810842  0.232497  1
  H  H550  1  0.535958  0.810986  0.565836  1
  H  H551  1  0.535955  0.810918  0.899085  1
  H  H552  1  0.679528  0.062390  0.233240  1
  H  H553  1  0.678822  0.060958  0.565653  1
  H  H554  1  0.678820  0.060988  0.899204  1
  H  H555  1  0.678714  0.311009  0.232553  1
  H  H556  1  0.678705  0.310799  0.565337  1
  H  H557  1  0.678556  0.310973  0.899200  1
  H  H558  1  0.678728  0.560997  0.232560  1
  H  H559  1  0.678773  0.561085  0.565801  1
  H  H560  1  0.678704  0.560958  0.899115  1
  H  H561  1  0.678790  0.810976  0.232572  1
  H  H562  1  0.678847  0.811044  0.565848  1
  H  H563  1  0.678854  0.811026  0.899154  1
  H  H564  1  0.823397  0.063986  0.233959  1
  H  H565  1  0.821584  0.061212  0.566005  1
  H  H566  1  0.821719  0.061029  0.899297  1
  H  H567  1  0.821718  0.311151  0.232608  1
  H  H568  1  0.821525  0.311133  0.565719  1
  H  H569  1  0.821333  0.311438  0.899202  1
  H  H570  1  0.821609  0.561184  0.232612  1
  H  H571  1  0.821668  0.561261  0.565814  1
  H  H572  1  0.821551  0.561365  0.899280  1
  H  H573  1  0.821674  0.811212  0.232602  1
  H  H574  1  0.821736  0.811154  0.565817  1
  H  H575  1  0.821787  0.811813  0.899643  1
  H  H576  1  0.962503  0.052483  0.226471  1
  H  H577  1  0.964436  0.061491  0.566530  1
  H  H578  1  0.964539  0.061235  0.899287  1
  H  H579  1  0.965256  0.307448  0.232388  1
  H  H580  1  0.964278  0.311500  0.566452  1
  H  H581  1  0.964256  0.311904  0.899159  1
  H  H582  1  0.964565  0.561253  0.232864  1
  H  H583  1  0.964476  0.561476  0.565830  1
  H  H584  1  0.964424  0.561780  0.899418  1
  H  H585  1  0.964615  0.813764  0.233370  1
  H  H586  1  0.964553  0.811272  0.565804  1
  H  H587  1  0.964598  0.812146  0.899913  1
  H  H588  1  0.035741  0.188552  0.103847  1
  H  H589  1  0.035768  0.184402  0.435639  1
  H  H590  1  0.035768  0.188068  0.771487  1
  H  H591  1  0.035787  0.438729  0.105065  1
  H  H592  1  0.035775  0.437361  0.437715  1
  H  H593  1  0.035788  0.438418  0.771575  1
  H  H594  1  0.035877  0.688311  0.104984  1
  H  H595  1  0.035877  0.688131  0.437801  1
  H  H596  1  0.035874  0.688201  0.771599  1
  H  H597  1  0.035983  0.928024  0.101488  1
  H  H598  1  0.035977  0.938915  0.437997  1
  H  H599  1  0.035951  0.938115  0.771627  1
  H  H600  1  0.178730  0.188071  0.104097  1
  H  H601  1  0.177771  0.187874  0.437943  1
  H  H602  1  0.178724  0.187988  0.771449  1
  H  H603  1  0.178564  0.438422  0.104977  1
  H  H604  1  0.178505  0.437381  0.437767  1
  H  H605  1  0.178698  0.438243  0.771491  1
  H  H606  1  0.178656  0.688267  0.104975  1
  H  H607  1  0.178597  0.688026  0.437896  1
  H  H608  1  0.178654  0.688031  0.771527  1
  H  H609  1  0.178461  0.939218  0.105566  1
  H  H610  1  0.178591  0.938634  0.438058  1
  H  H611  1  0.178798  0.938047  0.771612  1
  H  H612  1  0.321273  0.188108  0.105225  1
  H  H613  1  0.320818  0.188046  0.437611  1
  H  H614  1  0.321596  0.187873  0.771379  1
  H  H615  1  0.321467  0.437895  0.104813  1
  H  H616  1  0.321395  0.437599  0.437946  1
  H  H617  1  0.321536  0.437946  0.771340  1
  H  H618  1  0.321556  0.687932  0.104823  1
  H  H619  1  0.321525  0.687813  0.438060  1
  H  H620  1  0.321506  0.687855  0.771392  1
  H  H621  1  0.321602  0.937924  0.104774  1
  H  H622  1  0.321668  0.937807  0.438093  1
  H  H623  1  0.321627  0.937890  0.771518  1
  H  H624  1  0.464252  0.187791  0.105177  1
  H  H625  1  0.464094  0.187902  0.437562  1
  H  H626  1  0.464386  0.187817  0.771337  1
  H  H627  1  0.464344  0.437680  0.104791  1
  H  H628  1  0.464311  0.437507  0.437897  1
  H  H629  1  0.464367  0.437724  0.771245  1
  H  H630  1  0.464439  0.687700  0.104712  1
  H  H631  1  0.464428  0.687707  0.438067  1
  H  H632  1  0.464415  0.687676  0.771295  1
  H  H633  1  0.464535  0.937646  0.104627  1
  H  H634  1  0.464549  0.937759  0.438002  1
  H  H635  1  0.464511  0.937777  0.771402  1
  H  H636  1  0.607286  0.187788  0.105179  1
  H  H637  1  0.607398  0.187891  0.437554  1
  H  H638  1  0.607163  0.187821  0.771338  1
  H  H639  1  0.607230  0.437680  0.104792  1
  H  H640  1  0.607243  0.437526  0.437903  1
  H  H641  1  0.607207  0.437728  0.771248  1
  H  H642  1  0.607313  0.687701  0.104711  1
  H  H643  1  0.607329  0.687715  0.438066  1
  H  H644  1  0.607335  0.687683  0.771296  1
  H  H645  1  0.607430  0.937644  0.104624  1
  H  H646  1  0.607418  0.937770  0.437994  1
  H  H647  1  0.607402  0.937784  0.771400  1
  H  H648  1  0.750262  0.188091  0.105232  1
  H  H649  1  0.750666  0.188032  0.437600  1
  H  H650  1  0.749950  0.187881  0.771381  1
  H  H651  1  0.750108  0.437888  0.104815  1
  H  H652  1  0.750158  0.437655  0.437966  1
  H  H653  1  0.750038  0.437952  0.771348  1
  H  H654  1  0.750197  0.687931  0.104819  1
  H  H655  1  0.750232  0.687834  0.438058  1
  H  H656  1  0.750244  0.687872  0.771394  1
  H  H657  1  0.750361  0.937906  0.104762  1
  H  H658  1  0.750295  0.937832  0.438074  1
  H  H659  1  0.750284  0.937907  0.771513  1
  H  H660  1  0.892808  0.188063  0.104145  1
  H  H661  1  0.893731  0.187804  0.437901  1
  H  H662  1  0.892815  0.187994  0.771450  1
  H  H663  1  0.893010  0.438405  0.104976  1
  H  H664  1  0.893046  0.437468  0.437801  1
  H  H665  1  0.892877  0.438250  0.771498  1
  H  H666  1  0.893097  0.688254  0.104968  1
  H  H667  1  0.893159  0.688051  0.437894  1
  H  H668  1  0.893095  0.688045  0.771528  1
  H  H669  1  0.893506  0.939180  0.105547  1
  H  H670  1  0.893372  0.938658  0.438028  1
  H  H671  1  0.893108  0.938062  0.771609  1
