# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92387652
_cell_length_b   20.73430717
_cell_length_c   46.52544938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.43323541
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe180 Ni180'
_cell_volume   8533.65926789
_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  0.689479  0.708610  0.285844  1
  Fe  Fe2  1  0.208004  0.519896  0.329787  1
  Fe  Fe3  1  0.302952  0.700678  0.299889  1
  Fe  Fe4  1  0.689242  0.207180  0.285517  1
  Fe  Fe5  1  0.637703  0.366501  0.299701  1
  Fe  Fe6  1  0.588277  0.525568  0.313926  1
  Fe  Fe7  1  0.023475  0.374140  0.285556  1
  Fe  Fe8  1  0.970802  0.533803  0.299768  1
  Fe  Fe9  1  0.924999  0.691516  0.314046  1
  Fe  Fe10  1  0.355902  0.039831  0.285548  1
  Fe  Fe11  1  0.303849  0.199730  0.299569  1
  Fe  Fe12  1  0.256686  0.359014  0.314473  1
  Fe  Fe13  1  0.643943  0.863036  0.299133  1
  Fe  Fe14  1  0.589074  0.025884  0.314530  1
  Fe  Fe15  1  0.019089  0.873554  0.285769  1
  Fe  Fe16  1  0.971359  0.032424  0.299510  1
  Fe  Fe17  1  0.923713  0.192137  0.314365  1
  Fe  Fe18  1  0.255643  0.858417  0.314493  1
  Fe  Fe19  1  0.539845  0.686944  0.329927  1
  Fe  Fe20  1  0.059886  0.499242  0.373073  1
  Fe  Fe21  1  0.158169  0.678687  0.343956  1
  Fe  Fe22  1  0.540564  0.186354  0.329541  1
  Fe  Fe23  1  0.491326  0.345822  0.343841  1
  Fe  Fe24  1  0.442248  0.505772  0.358383  1
  Fe  Fe25  1  0.873848  0.353271  0.329651  1
  Fe  Fe26  1  0.824058  0.512555  0.343866  1
  Fe  Fe27  1  0.775673  0.672046  0.358537  1
  Fe  Fe28  1  0.208374  0.019045  0.329435  1
  Fe  Fe29  1  0.157781  0.179023  0.343823  1
  Fe  Fe30  1  0.108672  0.339125  0.358361  1
  Fe  Fe31  1  0.491950  0.844990  0.343854  1
  Fe  Fe32  1  0.442190  0.005399  0.358102  1
  Fe  Fe33  1  0.873598  0.852570  0.329327  1
  Fe  Fe34  1  0.824318  0.012284  0.343859  1
  Fe  Fe35  1  0.775747  0.172222  0.358226  1
  Fe  Fe36  1  0.108410  0.838999  0.358409  1
  Fe  Fe37  1  0.393145  0.665689  0.373042  1
  Fe  Fe38  1  0.912124  0.478952  0.416485  1
  Fe  Fe39  1  0.010393  0.658831  0.387524  1
  Fe  Fe40  1  0.393055  0.165838  0.372925  1
  Fe  Fe41  1  0.343725  0.325610  0.387351  1
  Fe  Fe42  1  0.294624  0.485510  0.401880  1
  Fe  Fe43  1  0.726501  0.332584  0.372968  1
  Fe  Fe44  1  0.676862  0.492379  0.387439  1
  Fe  Fe45  1  0.627886  0.652074  0.401892  1
  Fe  Fe46  1  0.060118  0.998883  0.372886  1
  Fe  Fe47  1  0.010395  0.158872  0.387238  1
  Fe  Fe48  1  0.961137  0.318906  0.401782  1
  Fe  Fe49  1  0.343631  0.825632  0.387431  1
  Fe  Fe50  1  0.294681  0.985373  0.401668  1
  Fe  Fe51  1  0.726720  0.832384  0.373096  1
  Fe  Fe52  1  0.676863  0.992144  0.387208  1
  Fe  Fe53  1  0.627928  0.152157  0.401722  1
  Fe  Fe54  1  0.961198  0.818897  0.401874  1
  Fe  Fe55  1  0.245470  0.645704  0.416528  1
  Fe  Fe56  1  0.764486  0.458739  0.459888  1
  Fe  Fe57  1  0.862763  0.638802  0.430929  1
  Fe  Fe58  1  0.245436  0.145543  0.416269  1
  Fe  Fe59  1  0.196121  0.305412  0.430803  1
  Fe  Fe60  1  0.147023  0.465399  0.445377  1
  Fe  Fe61  1  0.578833  0.312258  0.416355  1
  Fe  Fe62  1  0.529441  0.472116  0.430891  1
  Fe  Fe63  1  0.480293  0.632181  0.445410  1
  Fe  Fe64  1  0.912089  0.978878  0.416275  1
  Fe  Fe65  1  0.862845  0.138707  0.430728  1
  Fe  Fe66  1  0.813662  0.298689  0.445268  1
  Fe  Fe67  1  0.196104  0.805531  0.430887  1
  Fe  Fe68  1  0.146967  0.965456  0.445261  1
  Fe  Fe69  1  0.578770  0.812427  0.416484  1
  Fe  Fe70  1  0.529435  0.972081  0.430747  1
  Fe  Fe71  1  0.480327  0.131991  0.445201  1
  Fe  Fe72  1  0.813575  0.798924  0.445383  1
  Fe  Fe73  1  0.097786  0.625545  0.459932  1
  Fe  Fe74  1  0.616857  0.438598  0.503300  1
  Fe  Fe75  1  0.715188  0.618813  0.474393  1
  Fe  Fe76  1  0.097849  0.125314  0.459735  1
  Fe  Fe77  1  0.048597  0.285227  0.474261  1
  Fe  Fe78  1  -0.000599  0.445265  0.488804  1
  Fe  Fe79  1  0.431186  0.291989  0.459793  1
  Fe  Fe80  1  0.381911  0.452007  0.474345  1
  Fe  Fe81  1  0.332677  0.612079  0.488851  1
  Fe  Fe82  1  0.764473  0.958803  0.459811  1
  Fe  Fe83  1  0.715255  0.118559  0.474216  1
  Fe  Fe84  1  0.666099  0.278493  0.488732  1
  Fe  Fe85  1  0.048496  0.785536  0.474390  1
  Fe  Fe86  1  -0.000625  0.945367  0.488801  1
  Fe  Fe87  1  0.431113  0.792253  0.459904  1
  Fe  Fe88  1  0.381856  0.952078  0.474304  1
  Fe  Fe89  1  0.332748  0.111843  0.488707  1
  Fe  Fe90  1  0.665982  0.778809  0.488856  1
  Fe  Fe91  1  0.950145  0.605456  0.503369  1
  Fe  Fe92  1  0.469242  0.418406  0.546698  1
  Fe  Fe93  1  0.567621  0.598713  0.517827  1
  Fe  Fe94  1  0.950210  0.105151  0.503221  1
  Fe  Fe95  1  0.901044  0.265086  0.517721  1
  Fe  Fe96  1  0.851774  0.425151  0.532217  1
  Fe  Fe97  1  0.283555  0.271787  0.503228  1
  Fe  Fe98  1  0.234342  0.431890  0.517773  1
  Fe  Fe99  1  0.185037  0.591983  0.532294  1
  Fe  Fe100  1  0.616817  0.938725  0.503346  1
  Fe  Fe101  1  0.567664  0.098429  0.517720  1
  Fe  Fe102  1  0.518481  0.258367  0.532185  1
  Fe  Fe103  1  0.900931  0.765418  0.517861  1
  Fe  Fe104  1  0.851738  0.925302  0.532342  1
  Fe  Fe105  1  0.283459  0.772190  0.503398  1
  Fe  Fe106  1  0.234299  0.931971  0.517833  1
  Fe  Fe107  1  0.185141  0.091740  0.532216  1
  Fe  Fe108  1  0.518359  0.758708  0.532346  1
  Fe  Fe109  1  0.802571  0.585295  0.546790  1
  Fe  Fe110  1  0.321486  0.398253  0.590096  1
  Fe  Fe111  1  0.420013  0.578686  0.561294  1
  Fe  Fe112  1  0.802567  0.084994  0.546714  1
  Fe  Fe113  1  0.753445  0.245014  0.561187  1
  Fe  Fe114  1  0.704213  0.404996  0.575621  1
  Fe  Fe115  1  0.135942  0.251645  0.546689  1
  Fe  Fe116  1  0.086748  0.411824  0.561198  1
  Fe  Fe117  1  0.037490  0.571743  0.575715  1
  Fe  Fe118  1  0.469197  0.918602  0.546875  1
  Fe  Fe119  1  0.420084  0.078383  0.561256  1
  Fe  Fe120  1  0.370855  0.238266  0.575650  1
  Fe  Fe121  1  0.753380  0.745334  0.561368  1
  Fe  Fe122  1  0.704095  0.905104  0.575824  1
  Fe  Fe123  1  0.135871  0.751999  0.546863  1
  Fe  Fe124  1  0.086735  0.911943  0.561397  1
  Fe  Fe125  1  0.037525  0.071632  0.575726  1
  Fe  Fe126  1  0.370818  0.738382  0.575780  1
  Fe  Fe127  1  0.654937  0.565204  0.590233  1
  Fe  Fe128  1  0.173981  0.378137  0.633669  1
  Fe  Fe129  1  0.272584  0.558493  0.604778  1
  Fe  Fe130  1  0.654933  0.065073  0.590320  1
  Fe  Fe131  1  0.605754  0.224861  0.604637  1
  Fe  Fe132  1  0.556302  0.385042  0.618974  1
  Fe  Fe133  1  0.988299  0.231555  0.590110  1
  Fe  Fe134  1  0.939378  0.391778  0.604662  1
  Fe  Fe135  1  0.889768  0.551505  0.619120  1
  Fe  Fe136  1  0.321566  0.898673  0.590465  1
  Fe  Fe137  1  0.272420  0.058302  0.604795  1
  Fe  Fe138  1  0.223259  0.218225  0.619022  1
  Fe  Fe139  1  0.606023  0.725036  0.604816  1
  Fe  Fe140  1  0.556189  0.885114  0.619288  1
  Fe  Fe141  1  0.988226  0.731936  0.590399  1
  Fe  Fe142  1  0.939245  0.891673  0.604847  1
  Fe  Fe143  1  0.889826  0.051806  0.619275  1
  Fe  Fe144  1  0.223005  0.718214  0.619226  1
  Fe  Fe145  1  0.507624  0.544565  0.633577  1
  Fe  Fe146  1  0.027769  0.357500  0.677213  1
  Fe  Fe147  1  0.124794  0.538518  0.648244  1
  Fe  Fe148  1  0.507169  0.045012  0.633843  1
  Fe  Fe149  1  0.458503  0.204916  0.648140  1
  Fe  Fe150  1  0.407801  0.364949  0.662542  1
  Fe  Fe151  1  0.840162  0.211236  0.633351  1
  Fe  Fe152  1  0.791850  0.372052  0.647979  1
  Fe  Fe153  1  0.742619  0.530613  0.662625  1
  Fe  Fe154  1  0.174202  0.878288  0.633822  1
  Fe  Fe155  1  0.124249  0.038858  0.648493  1
  Fe  Fe156  1  0.075640  0.197923  0.662438  1
  Fe  Fe157  1  0.458227  0.705378  0.648337  1
  Fe  Fe158  1  0.409518  0.864020  0.662552  1
  Fe  Fe159  1  0.840822  0.711535  0.633827  1
  Fe  Fe160  1  0.791236  0.872014  0.648411  1
  Fe  Fe161  1  0.743423  0.030784  0.662570  1
  Fe  Fe162  1  0.076098  0.697271  0.662605  1
  Fe  Fe163  1  0.360352  0.523787  0.676757  1
  Fe  Fe164  1  0.877229  0.332476  0.720415  1
  Fe  Fe165  1  0.977268  0.518945  0.692940  1
  Fe  Fe166  1  0.357291  0.026679  0.678212  1
  Fe  Fe167  1  0.314243  0.182780  0.692380  1
  Fe  Fe168  1  0.259878  0.344597  0.706689  1
  Fe  Fe169  1  0.691625  0.192554  0.677665  1
  Fe  Fe170  1  0.642942  0.351224  0.692172  1
  Fe  Fe171  1  0.596687  0.508739  0.706591  1
  Fe  Fe172  1  0.025783  0.858806  0.677883  1
  Fe  Fe173  1  0.979204  0.016876  0.692551  1
  Fe  Fe174  1  0.921376  0.181527  0.707221  1
  Fe  Fe175  1  0.312225  0.685513  0.692454  1
  Fe  Fe176  1  0.260637  0.843385  0.706637  1
  Fe  Fe177  1  0.692438  0.691781  0.677743  1
  Fe  Fe178  1  0.645442  0.851164  0.692573  1
  Fe  Fe179  1  0.594016  0.010889  0.706734  1
  Fe  Fe180  1  0.928461  0.675587  0.706644  1
  Ni  Ni181  1  0.709502  0.768823  0.329768  1
  Ni  Ni182  1  0.521104  0.624791  0.286970  1
  Ni  Ni183  1  0.470630  0.782627  0.300244  1
  Ni  Ni184  1  0.855993  0.290478  0.286446  1
  Ni  Ni185  1  0.806281  0.449456  0.300202  1
  Ni  Ni186  1  0.754913  0.609555  0.314764  1
  Ni  Ni187  1  0.188666  0.457648  0.287006  1
  Ni  Ni188  1  0.142991  0.614850  0.300308  1
  Ni  Ni189  1  0.087144  0.775798  0.314669  1
  Ni  Ni190  1  0.521936  0.123579  0.286345  1
  Ni  Ni191  1  0.471991  0.282674  0.300134  1
  Ni  Ni192  1  0.422057  0.442835  0.314650  1
  Ni  Ni193  1  0.803478  0.949718  0.300246  1
  Ni  Ni194  1  0.756361  0.109029  0.314581  1
  Ni  Ni195  1  0.189037  0.955954  0.286363  1
  Ni  Ni196  1  0.138904  0.115583  0.300116  1
  Ni  Ni197  1  0.089287  0.276031  0.314712  1
  Ni  Ni198  1  0.425533  0.941028  0.314262  1
  Ni  Ni199  1  0.559993  0.749134  0.373173  1
  Ni  Ni200  1  0.374649  0.602754  0.329345  1
  Ni  Ni201  1  0.323519  0.762346  0.344127  1
  Ni  Ni202  1  0.707733  0.269540  0.329526  1
  Ni  Ni203  1  0.657806  0.429198  0.343942  1
  Ni  Ni204  1  0.608560  0.588961  0.358218  1
  Ni  Ni205  1  0.040742  0.436425  0.329655  1
  Ni  Ni206  1  0.991008  0.595708  0.344028  1
  Ni  Ni207  1  0.942434  0.755295  0.358387  1
  Ni  Ni208  1  0.373804  0.102916  0.329488  1
  Ni  Ni209  1  0.324473  0.262355  0.343895  1
  Ni  Ni210  1  0.275307  0.422298  0.358327  1
  Ni  Ni211  1  0.657762  0.928538  0.343733  1
  Ni  Ni212  1  0.608497  0.089013  0.358198  1
  Ni  Ni213  1  0.040501  0.936021  0.329547  1
  Ni  Ni214  1  0.991670  0.095297  0.343789  1
  Ni  Ni215  1  0.941925  0.255700  0.358187  1
  Ni  Ni216  1  0.275884  0.921937  0.358094  1
  Ni  Ni217  1  0.412172  0.728978  0.416463  1
  Ni  Ni218  1  0.226538  0.582546  0.373155  1
  Ni  Ni219  1  0.176903  0.742218  0.387434  1
  Ni  Ni220  1  0.559947  0.249185  0.372882  1
  Ni  Ni221  1  0.510299  0.408984  0.387358  1
  Ni  Ni222  1  0.461197  0.568888  0.401936  1
  Ni  Ni223  1  0.893039  0.416043  0.372995  1
  Ni  Ni224  1  0.843644  0.575490  0.387455  1
  Ni  Ni225  1  0.794598  0.735524  0.401956  1
  Ni  Ni226  1  0.226591  0.082337  0.372799  1
  Ni  Ni227  1  0.176858  0.242299  0.387293  1
  Ni  Ni228  1  0.127893  0.402236  0.401877  1
  Ni  Ni229  1  0.510374  0.908810  0.387250  1
  Ni  Ni230  1  0.461200  0.068760  0.401689  1
  Ni  Ni231  1  0.892898  0.915668  0.372817  1
  Ni  Ni232  1  0.843734  0.075506  0.387247  1
  Ni  Ni233  1  0.794626  0.235508  0.401753  1
  Ni  Ni234  1  0.127890  0.902183  0.401821  1
  Ni  Ni235  1  0.264456  0.708923  0.459941  1
  Ni  Ni236  1  0.078875  0.562255  0.416515  1
  Ni  Ni237  1  0.029378  0.722238  0.430938  1
  Ni  Ni238  1  0.412159  0.228900  0.416324  1
  Ni  Ni239  1  0.362824  0.388768  0.430854  1
  Ni  Ni240  1  0.313646  0.548788  0.445390  1
  Ni  Ni241  1  0.745439  0.395630  0.416408  1
  Ni  Ni242  1  0.696091  0.555483  0.430944  1
  Ni  Ni243  1  0.646944  0.715521  0.445379  1
  Ni  Ni244  1  0.078893  0.062173  0.416260  1
  Ni  Ni245  1  0.029452  0.222074  0.430753  1
  Ni  Ni246  1  0.980323  0.382034  0.445325  1
  Ni  Ni247  1  0.362733  0.888880  0.430847  1
  Ni  Ni248  1  0.313670  0.048682  0.445199  1
  Ni  Ni249  1  0.745477  0.895671  0.416385  1
  Ni  Ni250  1  0.696107  0.055385  0.430715  1
  Ni  Ni251  1  0.647028  0.215331  0.445237  1
  Ni  Ni252  1  0.980306  0.882186  0.445333  1
  Ni  Ni253  1  0.116819  0.688807  0.503377  1
  Ni  Ni254  1  0.931150  0.542140  0.459927  1
  Ni  Ni255  1  0.881829  0.702178  0.474380  1
  Ni  Ni256  1  0.264506  0.208637  0.459753  1
  Ni  Ni257  1  0.215269  0.368601  0.474301  1
  Ni  Ni258  1  0.166021  0.528697  0.488839  1
  Ni  Ni259  1  0.597834  0.375361  0.459837  1
  Ni  Ni260  1  0.548550  0.535400  0.474368  1
  Ni  Ni261  1  0.499308  0.695482  0.488869  1
  Ni  Ni262  1  0.931155  0.042030  0.459744  1
  Ni  Ni263  1  0.881935  0.201888  0.474229  1
  Ni  Ni264  1  0.832740  0.361872  0.488768  1
  Ni  Ni265  1  0.215186  0.868814  0.474344  1
  Ni  Ni266  1  0.166055  0.028599  0.488746  1
  Ni  Ni267  1  0.597771  0.875571  0.459890  1
  Ni  Ni268  1  0.548550  0.035297  0.474233  1
  Ni  Ni269  1  0.499428  0.195153  0.488712  1
  Ni  Ni270  1  0.832657  0.862128  0.488857  1
  Ni  Ni271  1  0.969191  0.668686  0.546857  1
  Ni  Ni272  1  0.783516  0.522018  0.503331  1
  Ni  Ni273  1  0.734265  0.682102  0.517860  1
  Ni  Ni274  1  0.116893  0.188457  0.503218  1
  Ni  Ni275  1  0.067694  0.348469  0.517741  1
  Ni  Ni276  1  0.018425  0.508574  0.532250  1
  Ni  Ni277  1  0.450212  0.355177  0.503254  1
  Ni  Ni278  1  0.400977  0.515313  0.517817  1
  Ni  Ni279  1  0.351695  0.675345  0.532303  1
  Ni  Ni280  1  0.783526  0.021910  0.503264  1
  Ni  Ni281  1  0.734355  0.181744  0.517713  1
  Ni  Ni282  1  0.685161  0.341732  0.532194  1
  Ni  Ni283  1  0.067594  0.848744  0.517879  1
  Ni  Ni284  1  0.018469  0.008492  0.532275  1
  Ni  Ni285  1  0.450157  0.855449  0.503373  1
  Ni  Ni286  1  0.400967  0.015213  0.517783  1
  Ni  Ni287  1  0.351827  0.175028  0.532193  1
  Ni  Ni288  1  0.685044  0.841998  0.532342  1
  Ni  Ni289  1  0.821707  0.648468  0.590294  1
  Ni  Ni290  1  0.635855  0.501901  0.546752  1
  Ni  Ni291  1  0.586792  0.661955  0.561300  1
  Ni  Ni292  1  0.969251  0.168314  0.546681  1
  Ni  Ni293  1  0.920155  0.328395  0.561187  1
  Ni  Ni294  1  0.870785  0.488426  0.575655  1
  Ni  Ni295  1  0.302539  0.335025  0.546675  1
  Ni  Ni296  1  0.253453  0.495208  0.561247  1
  Ni  Ni297  1  0.203992  0.655158  0.575772  1
  Ni  Ni298  1  0.635881  1.001838  0.546830  1
  Ni  Ni299  1  0.586732  0.161648  0.561181  1
  Ni  Ni300  1  0.537507  0.321601  0.575633  1
  Ni  Ni301  1  0.920064  0.828599  0.561352  1
  Ni  Ni302  1  0.870798  0.988431  0.575837  1
  Ni  Ni303  1  0.302539  0.835346  0.546915  1
  Ni  Ni304  1  0.253388  0.995153  0.561313  1
  Ni  Ni305  1  0.204218  0.154897  0.575668  1
  Ni  Ni306  1  0.537346  0.821837  0.575845  1
  Ni  Ni307  1  0.674115  0.628233  0.633879  1
  Ni  Ni308  1  0.488186  0.481742  0.590094  1
  Ni  Ni309  1  0.439318  0.641792  0.604851  1
  Ni  Ni310  1  0.821528  0.148186  0.590092  1
  Ni  Ni311  1  0.772518  0.308356  0.604638  1
  Ni  Ni312  1  0.723358  0.468270  0.619012  1
  Ni  Ni313  1  0.154904  0.314983  0.590130  1
  Ni  Ni314  1  0.105893  0.475069  0.604717  1
  Ni  Ni315  1  0.056464  0.634848  0.619172  1
  Ni  Ni316  1  0.488235  0.981822  0.590361  1
  Ni  Ni317  1  0.439200  0.141590  0.604720  1
  Ni  Ni318  1  0.389848  0.301561  0.619111  1
  Ni  Ni319  1  0.772474  0.808505  0.604907  1
  Ni  Ni320  1  0.723136  0.968282  0.619243  1
  Ni  Ni321  1  0.155036  0.815137  0.590361  1
  Ni  Ni322  1  0.105804  0.975193  0.604932  1
  Ni  Ni323  1  0.056501  0.134882  0.619140  1
  Ni  Ni324  1  0.389854  0.801538  0.619180  1
  Ni  Ni325  1  0.526853  0.607886  0.677007  1
  Ni  Ni326  1  0.340232  0.461370  0.633486  1
  Ni  Ni327  1  0.292570  0.621673  0.648341  1
  Ni  Ni328  1  0.674169  0.128234  0.633886  1
  Ni  Ni329  1  0.624346  0.288698  0.647995  1
  Ni  Ni330  1  0.576268  0.447540  0.662456  1
  Ni  Ni331  1  0.007468  0.294829  0.633553  1
  Ni  Ni332  1  0.958749  0.455050  0.648299  1
  Ni  Ni333  1  0.908070  0.614440  0.662572  1
  Ni  Ni334  1  0.340494  0.961997  0.634175  1
  Ni  Ni335  1  0.291403  0.121832  0.648129  1
  Ni  Ni336  1  0.242865  0.280935  0.662549  1
  Ni  Ni337  1  0.625595  0.788414  0.648243  1
  Ni  Ni338  1  0.574305  0.948352  0.662770  1
  Ni  Ni339  1  0.007258  0.795059  0.634057  1
  Ni  Ni340  1  0.958861  0.955011  0.648211  1
  Ni  Ni341  1  0.907946  0.115218  0.662866  1
  Ni  Ni342  1  0.241366  0.781445  0.662591  1
  Ni  Ni343  1  0.382529  0.586785  0.719118  1
  Ni  Ni344  1  0.191321  0.441827  0.677543  1
  Ni  Ni345  1  0.146552  0.601031  0.691972  1
  Ni  Ni346  1  0.528821  0.107957  0.677271  1
  Ni  Ni347  1  0.476034  0.268332  0.691962  1
  Ni  Ni348  1  0.426193  0.428071  0.705979  1
  Ni  Ni349  1  0.859283  0.274887  0.676182  1
  Ni  Ni350  1  0.813826  0.433643  0.692154  1
  Ni  Ni351  1  0.756351  0.594250  0.705982  1
  Ni  Ni352  1  0.194413  0.941447  0.677413  1
  Ni  Ni353  1  0.139149  0.102792  0.692387  1
  Ni  Ni354  1  0.098388  0.259826  0.705829  1
  Ni  Ni355  1  0.478371  0.768235  0.692175  1
  Ni  Ni356  1  0.427130  0.927506  0.705655  1
  Ni  Ni357  1  0.860351  0.774600  0.677535  1
  Ni  Ni358  1  0.810202  0.934854  0.692167  1
  Ni  Ni359  1  0.762622  0.094405  0.705650  1
  Ni  Ni360  1  0.093128  0.760336  0.705819  1
