# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.42644544
_cell_length_b   11.30905567
_cell_length_c   48.78037153
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.62763623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe180 Ni180'
_cell_volume   8965.23723753
_cell_formula_units_Z   180
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
  Fe  Fe1  1  0.649637  0.022701  0.301041  1
  Fe  Fe2  1  0.150157  0.021041  0.301062  1
  Fe  Fe3  1  0.305101  0.989106  0.315470  1
  Fe  Fe4  1  0.483215  0.688946  0.300957  1
  Fe  Fe5  1  0.497277  0.055272  0.286118  1
  Fe  Fe6  1  0.638440  0.655858  0.315508  1
  Fe  Fe7  1  0.806638  0.988917  0.315924  1
  Fe  Fe8  1  0.982793  0.687933  0.300766  1
  Fe  Fe9  1  0.998641  0.051856  0.286563  1
  Fe  Fe10  1  0.140268  0.655618  0.315717  1
  Fe  Fe11  1  0.316212  0.355152  0.301070  1
  Fe  Fe12  1  0.332604  0.719336  0.286537  1
  Fe  Fe13  1  0.473166  0.322015  0.315927  1
  Fe  Fe14  1  0.666328  0.386337  0.286393  1
  Fe  Fe15  1  0.819055  0.356085  0.300319  1
  Fe  Fe16  1  0.829325  0.722982  0.285975  1
  Fe  Fe17  1  0.010781  0.418540  0.272161  1
  Fe  Fe18  1  0.162796  0.387998  0.286200  1
  Fe  Fe19  1  0.611052  0.925065  0.345594  1
  Fe  Fe20  1  0.111640  0.924530  0.345259  1
  Fe  Fe21  1  0.264386  0.892716  0.360774  1
  Fe  Fe22  1  0.445103  0.591308  0.345214  1
  Fe  Fe23  1  0.460088  0.956865  0.330758  1
  Fe  Fe24  1  0.598191  0.559014  0.360685  1
  Fe  Fe25  1  0.764638  0.892534  0.361078  1
  Fe  Fe26  1  0.944138  0.591700  0.346072  1
  Fe  Fe27  1  0.960653  0.956081  0.330604  1
  Fe  Fe28  1  0.098369  0.559116  0.361467  1
  Fe  Fe29  1  0.277787  0.258128  0.345479  1
  Fe  Fe30  1  0.294233  0.622991  0.330551  1
  Fe  Fe31  1  0.431231  0.225726  0.361060  1
  Fe  Fe32  1  0.627472  0.289864  0.330568  1
  Fe  Fe33  1  0.778538  0.258052  0.345230  1
  Fe  Fe34  1  0.792269  0.624140  0.331026  1
  Fe  Fe35  1  0.972344  0.322799  0.315390  1
  Fe  Fe36  1  0.125532  0.291065  0.330097  1
  Fe  Fe37  1  0.571424  0.827526  0.391323  1
  Fe  Fe38  1  0.071793  0.827451  0.391122  1
  Fe  Fe39  1  0.225029  0.794947  0.406404  1
  Fe  Fe40  1  0.405040  0.494051  0.391153  1
  Fe  Fe41  1  0.418654  0.860151  0.376324  1
  Fe  Fe42  1  0.558339  0.461457  0.406399  1
  Fe  Fe43  1  0.724454  0.795069  0.406548  1
  Fe  Fe44  1  0.904872  0.494129  0.391314  1
  Fe  Fe45  1  0.918774  0.860106  0.376154  1
  Fe  Fe46  1  0.058117  0.461632  0.406463  1
  Fe  Fe47  1  0.238353  0.160616  0.391273  1
  Fe  Fe48  1  0.251998  0.526715  0.376230  1
  Fe  Fe49  1  0.391283  0.128319  0.406451  1
  Fe  Fe50  1  0.585396  0.193538  0.376194  1
  Fe  Fe51  1  0.738460  0.160718  0.391178  1
  Fe  Fe52  1  0.751928  0.526874  0.376262  1
  Fe  Fe53  1  0.931249  0.225777  0.360828  1
  Fe  Fe54  1  0.085185  0.193465  0.376234  1
  Fe  Fe55  1  0.531212  0.729959  0.436701  1
  Fe  Fe56  1  0.031295  0.730024  0.436861  1
  Fe  Fe57  1  0.184656  0.697479  0.452014  1
  Fe  Fe58  1  0.364567  0.396637  0.436708  1
  Fe  Fe59  1  0.378332  0.762425  0.421610  1
  Fe  Fe60  1  0.517920  0.364088  0.451928  1
  Fe  Fe61  1  0.684379  0.697517  0.451938  1
  Fe  Fe62  1  0.864555  0.396609  0.436729  1
  Fe  Fe63  1  0.878032  0.762650  0.421772  1
  Fe  Fe64  1  0.017799  0.364142  0.451930  1
  Fe  Fe65  1  0.197907  0.063262  0.436714  1
  Fe  Fe66  1  0.211316  0.429272  0.421556  1
  Fe  Fe67  1  0.351067  0.030893  0.451944  1
  Fe  Fe68  1  0.544771  0.096002  0.421674  1
  Fe  Fe69  1  0.697959  0.063317  0.436764  1
  Fe  Fe70  1  0.711581  0.429120  0.421617  1
  Fe  Fe71  1  0.891639  0.128136  0.406441  1
  Fe  Fe72  1  0.044877  0.095753  0.421619  1
  Fe  Fe73  1  0.490992  0.632472  0.482255  1
  Fe  Fe74  1  0.990985  0.632519  0.482319  1
  Fe  Fe75  1  0.144228  0.599996  0.497449  1
  Fe  Fe76  1  0.324285  0.299156  0.482272  1
  Fe  Fe77  1  0.337891  0.664983  0.467122  1
  Fe  Fe78  1  0.477558  0.266661  0.497446  1
  Fe  Fe79  1  0.644194  0.599968  0.497449  1
  Fe  Fe80  1  0.824347  0.299134  0.482280  1
  Fe  Fe81  1  0.837773  0.665061  0.467178  1
  Fe  Fe82  1  0.977532  0.266635  0.497452  1
  Fe  Fe83  1  0.157704  0.965841  0.482269  1
  Fe  Fe84  1  0.171076  0.331708  0.467121  1
  Fe  Fe85  1  0.310896  0.933375  0.497450  1
  Fe  Fe86  1  0.504419  0.998445  0.467200  1
  Fe  Fe87  1  0.657595  0.965868  0.482351  1
  Fe  Fe88  1  0.671223  0.331661  0.467122  1
  Fe  Fe89  1  0.851257  0.030776  0.451952  1
  Fe  Fe90  1  0.004552  0.998340  0.467120  1
  Fe  Fe91  1  0.450701  0.534982  0.527749  1
  Fe  Fe92  1  0.950656  0.535029  0.527814  1
  Fe  Fe93  1  0.103819  0.502483  0.542920  1
  Fe  Fe94  1  0.283986  0.201685  0.527813  1
  Fe  Fe95  1  0.297515  0.567517  0.512599  1
  Fe  Fe96  1  0.437206  0.169207  0.542999  1
  Fe  Fe97  1  0.603944  0.502438  0.542933  1
  Fe  Fe98  1  0.784068  0.201668  0.527807  1
  Fe  Fe99  1  0.797483  0.567527  0.512656  1
  Fe  Fe100  1  0.937206  0.169149  0.542948  1
  Fe  Fe101  1  0.117379  0.868387  0.527829  1
  Fe  Fe102  1  0.130791  0.234199  0.512634  1
  Fe  Fe103  1  0.270554  0.835863  0.542951  1
  Fe  Fe104  1  0.464168  0.900905  0.512648  1
  Fe  Fe105  1  0.617314  0.868377  0.527812  1
  Fe  Fe106  1  0.630885  0.234211  0.512644  1
  Fe  Fe107  1  0.810821  0.933347  0.497505  1
  Fe  Fe108  1  0.964162  0.900895  0.512679  1
  Fe  Fe109  1  0.410356  0.437485  0.573217  1
  Fe  Fe110  1  0.910393  0.437587  0.573368  1
  Fe  Fe111  1  0.063464  0.404973  0.588441  1
  Fe  Fe112  1  0.243807  0.104231  0.573368  1
  Fe  Fe113  1  0.257163  0.470053  0.558089  1
  Fe  Fe114  1  0.396813  0.071799  0.588456  1
  Fe  Fe115  1  0.563732  0.404903  0.588410  1
  Fe  Fe116  1  0.743746  0.104199  0.573436  1
  Fe  Fe117  1  0.757245  0.470051  0.558178  1
  Fe  Fe118  1  0.896756  0.071682  0.588504  1
  Fe  Fe119  1  0.077144  0.770885  0.573339  1
  Fe  Fe120  1  0.090562  0.136741  0.558157  1
  Fe  Fe121  1  0.230242  0.738269  0.588404  1
  Fe  Fe122  1  0.423925  0.803379  0.558163  1
  Fe  Fe123  1  0.577025  0.770887  0.573367  1
  Fe  Fe124  1  0.590565  0.136774  0.558241  1
  Fe  Fe125  1  0.770476  0.835840  0.542940  1
  Fe  Fe126  1  0.923893  0.803401  0.558146  1
  Fe  Fe127  1  0.369912  0.339950  0.618887  1
  Fe  Fe128  1  0.869986  0.340166  0.618801  1
  Fe  Fe129  1  0.023177  0.307247  0.633776  1
  Fe  Fe130  1  0.203385  0.006799  0.618858  1
  Fe  Fe131  1  0.216840  0.372648  0.603675  1
  Fe  Fe132  1  0.356041  0.974294  0.633836  1
  Fe  Fe133  1  0.523329  0.307290  0.634041  1
  Fe  Fe134  1  0.703349  0.006678  0.618828  1
  Fe  Fe135  1  0.716985  0.372662  0.603694  1
  Fe  Fe136  1  0.856294  0.974042  0.633682  1
  Fe  Fe137  1  0.036649  0.673435  0.618862  1
  Fe  Fe138  1  0.050186  0.039407  0.603709  1
  Fe  Fe139  1  0.189593  0.640587  0.633675  1
  Fe  Fe140  1  0.383771  0.705834  0.603651  1
  Fe  Fe141  1  0.536595  0.673416  0.618770  1
  Fe  Fe142  1  0.550262  0.039379  0.603653  1
  Fe  Fe143  1  0.730081  0.738312  0.588469  1
  Fe  Fe144  1  0.883626  0.705965  0.603699  1
  Fe  Fe145  1  0.330454  0.242568  0.664725  1
  Fe  Fe146  1  0.829421  0.243382  0.664859  1
  Fe  Fe147  1  0.981770  0.210759  0.679440  1
  Fe  Fe148  1  0.163923  0.909461  0.664569  1
  Fe  Fe149  1  0.177133  0.275097  0.649257  1
  Fe  Fe150  1  0.315123  0.877342  0.679382  1
  Fe  Fe151  1  0.481638  0.210910  0.679346  1
  Fe  Fe152  1  0.663554  0.909021  0.664733  1
  Fe  Fe153  1  0.677048  0.275293  0.649532  1
  Fe  Fe154  1  0.814605  0.877613  0.679414  1
  Fe  Fe155  1  0.996966  0.576100  0.664722  1
  Fe  Fe156  1  0.010578  0.942005  0.649057  1
  Fe  Fe157  1  0.147941  0.544137  0.679432  1
  Fe  Fe158  1  0.343941  0.608377  0.648940  1
  Fe  Fe159  1  0.496098  0.576981  0.663895  1
  Fe  Fe160  1  0.510370  0.941612  0.649281  1
  Fe  Fe161  1  0.689542  0.640628  0.633890  1
  Fe  Fe162  1  0.843967  0.608483  0.649255  1
  Fe  Fe163  1  0.292375  0.146078  0.708924  1
  Fe  Fe164  1  0.791762  0.147544  0.708793  1
  Fe  Fe165  1  0.944183  0.116689  0.722829  1
  Fe  Fe166  1  0.126134  0.813323  0.708909  1
  Fe  Fe167  1  0.134984  0.179520  0.695026  1
  Fe  Fe168  1  0.277998  0.782871  0.722805  1
  Fe  Fe169  1  0.443404  0.116246  0.723067  1
  Fe  Fe170  1  0.625272  0.811770  0.708975  1
  Fe  Fe171  1  0.635945  0.178341  0.694225  1
  Fe  Fe172  1  0.776896  0.783309  0.723034  1
  Fe  Fe173  1  0.959294  0.479787  0.708793  1
  Fe  Fe174  1  0.969480  0.846519  0.694521  1
  Fe  Fe175  1  0.110156  0.450190  0.723001  1
  Fe  Fe176  1  0.302683  0.512378  0.694520  1
  Fe  Fe177  1  0.458410  0.479605  0.708936  1
  Fe  Fe178  1  0.468631  0.844901  0.695123  1
  Fe  Fe179  1  0.648975  0.544195  0.679337  1
  Fe  Fe180  1  0.804181  0.513372  0.694371  1
  Ni  Ni181  1  0.581657  0.221736  0.285225  1
  Ni  Ni182  1  0.081392  0.219307  0.285047  1
  Ni  Ni183  1  0.235322  0.187255  0.299650  1
  Ni  Ni184  1  0.414171  0.889474  0.285532  1
  Ni  Ni185  1  0.427366  0.256260  0.271692  1
  Ni  Ni186  1  0.568697  0.854485  0.299727  1
  Ni  Ni187  1  0.736804  0.185961  0.299525  1
  Ni  Ni188  1  0.914642  0.887469  0.285237  1
  Ni  Ni189  1  0.888500  0.156325  0.315135  1
  Ni  Ni190  1  0.069328  0.851448  0.299553  1
  Ni  Ni191  1  0.248270  0.553955  0.285183  1
  Ni  Ni192  1  0.221881  0.822545  0.315131  1
  Ni  Ni193  1  0.402958  0.518282  0.299494  1
  Ni  Ni194  1  0.555136  0.489327  0.314998  1
  Ni  Ni195  1  0.747325  0.556455  0.285542  1
  Ni  Ni196  1  0.760514  0.924324  0.271620  1
  Ni  Ni197  1  0.900249  0.523565  0.300449  1
  Ni  Ni198  1  0.093043  0.587682  0.271279  1
  Ni  Ni199  1  0.541660  0.125384  0.331069  1
  Ni  Ni200  1  0.041765  0.125361  0.331096  1
  Ni  Ni201  1  0.194910  0.092168  0.345804  1
  Ni  Ni202  1  0.375221  0.792403  0.331172  1
  Ni  Ni203  1  0.387890  0.156498  0.315614  1
  Ni  Ni204  1  0.528519  0.758211  0.345881  1
  Ni  Ni205  1  0.695597  0.091143  0.345769  1
  Ni  Ni206  1  0.874924  0.791455  0.330993  1
  Ni  Ni207  1  0.849000  0.058897  0.360879  1
  Ni  Ni208  1  0.028943  0.757026  0.345669  1
  Ni  Ni209  1  0.208271  0.458663  0.331086  1
  Ni  Ni210  1  0.182412  0.725470  0.360826  1
  Ni  Ni211  1  0.362175  0.424312  0.345768  1
  Ni  Ni212  1  0.515672  0.392242  0.360844  1
  Ni  Ni213  1  0.709215  0.458315  0.330930  1
  Ni  Ni214  1  0.720864  0.823934  0.315666  1
  Ni  Ni215  1  0.861804  0.424725  0.345829  1
  Ni  Ni216  1  0.054760  0.491987  0.316432  1
  Ni  Ni217  1  0.501732  0.027006  0.376235  1
  Ni  Ni218  1  0.002016  0.026779  0.376078  1
  Ni  Ni219  1  0.154772  0.993969  0.391114  1
  Ni  Ni220  1  0.335378  0.693494  0.376057  1
  Ni  Ni221  1  0.348419  0.058737  0.360810  1
  Ni  Ni222  1  0.488244  0.660365  0.391079  1
  Ni  Ni223  1  0.654692  0.994182  0.391251  1
  Ni  Ni224  1  0.834813  0.693963  0.376392  1
  Ni  Ni225  1  0.808204  0.961545  0.406456  1
  Ni  Ni226  1  0.988065  0.661091  0.391438  1
  Ni  Ni227  1  0.168340  0.359659  0.376014  1
  Ni  Ni228  1  0.141626  0.628648  0.406593  1
  Ni  Ni229  1  0.321325  0.327399  0.391190  1
  Ni  Ni230  1  0.474833  0.294974  0.406428  1
  Ni  Ni231  1  0.668814  0.360109  0.376051  1
  Ni  Ni232  1  0.681407  0.725895  0.360946  1
  Ni  Ni233  1  0.821486  0.327205  0.391128  1
  Ni  Ni234  1  0.015142  0.392010  0.360905  1
  Ni  Ni235  1  0.461419  0.929449  0.421721  1
  Ni  Ni236  1  0.961614  0.929063  0.421623  1
  Ni  Ni237  1  0.114719  0.896471  0.436729  1
  Ni  Ni238  1  0.294920  0.595899  0.421632  1
  Ni  Ni239  1  0.308078  0.961511  0.406386  1
  Ni  Ni240  1  0.448035  0.563141  0.436716  1
  Ni  Ni241  1  0.614472  0.896809  0.436843  1
  Ni  Ni242  1  0.794730  0.595998  0.421706  1
  Ni  Ni243  1  0.767750  0.864245  0.452014  1
  Ni  Ni244  1  0.947926  0.563316  0.436824  1
  Ni  Ni245  1  0.128122  0.262565  0.421640  1
  Ni  Ni246  1  0.101190  0.530818  0.451963  1
  Ni  Ni247  1  0.281187  0.230080  0.436773  1
  Ni  Ni248  1  0.434467  0.197520  0.451948  1
  Ni  Ni249  1  0.628289  0.262507  0.421625  1
  Ni  Ni250  1  0.641336  0.628157  0.406366  1
  Ni  Ni251  1  0.781364  0.229853  0.436745  1
  Ni  Ni252  1  0.974736  0.294877  0.406399  1
  Ni  Ni253  1  0.421140  0.831738  0.467128  1
  Ni  Ni254  1  0.921125  0.831789  0.467202  1
  Ni  Ni255  1  0.074366  0.799220  0.482327  1
  Ni  Ni256  1  0.254468  0.498289  0.467093  1
  Ni  Ni257  1  0.267937  0.864120  0.451927  1
  Ni  Ni258  1  0.407675  0.465744  0.482239  1
  Ni  Ni259  1  0.574264  0.799135  0.482280  1
  Ni  Ni260  1  0.754464  0.498390  0.467134  1
  Ni  Ni261  1  0.727477  0.766624  0.497459  1
  Ni  Ni262  1  0.907633  0.465804  0.482284  1
  Ni  Ni263  1  0.087801  0.165036  0.467120  1
  Ni  Ni264  1  0.060833  0.433308  0.497441  1
  Ni  Ni265  1  0.240940  0.132524  0.482276  1
  Ni  Ni266  1  0.394173  0.100064  0.497476  1
  Ni  Ni267  1  0.587838  0.165037  0.467150  1
  Ni  Ni268  1  0.601212  0.530775  0.451918  1
  Ni  Ni269  1  0.741025  0.132443  0.482289  1
  Ni  Ni270  1  0.934557  0.197460  0.451937  1
  Ni  Ni271  1  0.380848  0.734242  0.512633  1
  Ni  Ni272  1  0.880801  0.734222  0.512664  1
  Ni  Ni273  1  0.034051  0.701707  0.527816  1
  Ni  Ni274  1  0.214119  0.400853  0.512613  1
  Ni  Ni275  1  0.227602  0.766704  0.497468  1
  Ni  Ni276  1  0.367343  0.368294  0.527757  1
  Ni  Ni277  1  0.534035  0.701677  0.527799  1
  Ni  Ni278  1  0.714207  0.400858  0.512641  1
  Ni  Ni279  1  0.687187  0.669147  0.542967  1
  Ni  Ni280  1  0.867370  0.368361  0.527816  1
  Ni  Ni281  1  0.047508  0.067518  0.512639  1
  Ni  Ni282  1  0.020515  0.335808  0.542956  1
  Ni  Ni283  1  0.200709  0.035048  0.527812  1
  Ni  Ni284  1  0.353901  0.002493  0.542966  1
  Ni  Ni285  1  0.547476  0.067664  0.512700  1
  Ni  Ni286  1  0.560923  0.433276  0.497429  1
  Ni  Ni287  1  0.700671  0.035127  0.527867  1
  Ni  Ni288  1  0.894241  0.099928  0.497452  1
  Ni  Ni289  1  0.340551  0.636747  0.558114  1
  Ni  Ni290  1  0.840490  0.636798  0.558179  1
  Ni  Ni291  1  0.993712  0.604261  0.573323  1
  Ni  Ni292  1  0.173824  0.303415  0.558153  1
  Ni  Ni293  1  0.187236  0.669137  0.542931  1
  Ni  Ni294  1  0.326997  0.270985  0.573329  1
  Ni  Ni295  1  0.493762  0.604089  0.573252  1
  Ni  Ni296  1  0.673960  0.303316  0.558165  1
  Ni  Ni297  1  0.646875  0.571565  0.588434  1
  Ni  Ni298  1  0.827047  0.270845  0.573320  1
  Ni  Ni299  1  0.007174  0.970141  0.558187  1
  Ni  Ni300  1  0.980148  0.238206  0.588416  1
  Ni  Ni301  1  0.160394  0.937635  0.573336  1
  Ni  Ni302  1  0.313552  0.904885  0.588425  1
  Ni  Ni303  1  0.507169  0.970096  0.558168  1
  Ni  Ni304  1  0.520621  0.335756  0.542941  1
  Ni  Ni305  1  0.660359  0.937504  0.573324  1
  Ni  Ni306  1  0.853854  0.002524  0.542997  1
  Ni  Ni307  1  0.300274  0.539110  0.603576  1
  Ni  Ni308  1  0.800253  0.539445  0.603732  1
  Ni  Ni309  1  0.953623  0.506852  0.618927  1
  Ni  Ni310  1  0.133667  0.205948  0.603692  1
  Ni  Ni311  1  0.146771  0.571516  0.588367  1
  Ni  Ni312  1  0.286839  0.173631  0.618946  1
  Ni  Ni313  1  0.453571  0.506195  0.618631  1
  Ni  Ni314  1  0.633693  0.206130  0.603827  1
  Ni  Ni315  1  0.606631  0.473810  0.633958  1
  Ni  Ni316  1  0.786737  0.173801  0.619016  1
  Ni  Ni317  1  0.966982  0.872562  0.603643  1
  Ni  Ni318  1  0.939542  0.141080  0.634017  1
  Ni  Ni319  1  0.120317  0.840190  0.618857  1
  Ni  Ni320  1  0.273225  0.807272  0.633871  1
  Ni  Ni321  1  0.466871  0.872853  0.603714  1
  Ni  Ni322  1  0.480215  0.238490  0.588516  1
  Ni  Ni323  1  0.620150  0.840196  0.618950  1
  Ni  Ni324  1  0.813467  0.904744  0.588390  1
  Ni  Ni325  1  0.259715  0.442129  0.649313  1
  Ni  Ni326  1  0.759990  0.441978  0.649262  1
  Ni  Ni327  1  0.913238  0.409237  0.664062  1
  Ni  Ni328  1  0.093368  0.108809  0.649311  1
  Ni  Ni329  1  0.106426  0.473946  0.633956  1
  Ni  Ni330  1  0.245939  0.076685  0.664298  1
  Ni  Ni331  1  0.413056  0.409693  0.664200  1
  Ni  Ni332  1  0.593088  0.108290  0.649228  1
  Ni  Ni333  1  0.566628  0.376946  0.679310  1
  Ni  Ni334  1  0.746374  0.075902  0.664128  1
  Ni  Ni335  1  0.926465  0.775698  0.649319  1
  Ni  Ni336  1  0.899473  0.042280  0.678638  1
  Ni  Ni337  1  0.079754  0.743138  0.664191  1
  Ni  Ni338  1  0.233173  0.708359  0.678604  1
  Ni  Ni339  1  0.426431  0.776068  0.649224  1
  Ni  Ni340  1  0.439850  0.140538  0.633964  1
  Ni  Ni341  1  0.579188  0.742948  0.664239  1
  Ni  Ni342  1  0.773091  0.807210  0.633965  1
  Ni  Ni343  1  0.220358  0.344340  0.694682  1
  Ni  Ni344  1  0.718783  0.346386  0.695260  1
  Ni  Ni345  1  0.873474  0.315458  0.709935  1
  Ni  Ni346  1  0.053940  0.010707  0.694488  1
  Ni  Ni347  1  0.066511  0.375149  0.678859  1
  Ni  Ni348  1  0.207039  0.981686  0.709907  1
  Ni  Ni349  1  0.372942  0.315836  0.710144  1
  Ni  Ni350  1  0.553496  0.010545  0.694724  1
  Ni  Ni351  1  0.527525  0.280284  0.724063  1
  Ni  Ni352  1  0.705979  0.982569  0.710159  1
  Ni  Ni353  1  0.887555  0.678803  0.694697  1
  Ni  Ni354  1  0.860857  0.948600  0.724334  1
  Ni  Ni355  1  0.039713  0.649982  0.710153  1
  Ni  Ni356  1  0.194697  0.614586  0.724410  1
  Ni  Ni357  1  0.387289  0.676813  0.694370  1
  Ni  Ni358  1  0.399916  0.041533  0.678944  1
  Ni  Ni359  1  0.541012  0.644870  0.709453  1
  Ni  Ni360  1  0.733179  0.708648  0.678919  1
