# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35789664
_cell_length_b   20.72858775
_cell_length_c   46.65761701
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.99525422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe180 Ni180'
_cell_volume   8962.27426994
_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  0.827067  0.681378  0.310268  1
  Fe  Fe2  1  0.493734  0.514711  0.310268  1
  Fe  Fe3  1  0.587198  0.697546  0.281080  1
  Fe  Fe4  1  0.827067  0.181378  0.310268  1
  Fe  Fe5  1  0.920531  0.364213  0.281080  1
  Fe  Fe6  1  0.883872  0.522930  0.294792  1
  Fe  Fe7  1  0.160400  0.348045  0.310268  1
  Fe  Fe8  1  0.253864  0.530880  0.281080  1
  Fe  Fe9  1  0.217205  0.689597  0.294792  1
  Fe  Fe10  1  0.493734  0.014711  0.310268  1
  Fe  Fe11  1  0.587198  0.197546  0.281080  1
  Fe  Fe12  1  0.550538  0.356263  0.294792  1
  Fe  Fe13  1  0.920531  0.864213  0.281080  1
  Fe  Fe14  1  0.883872  0.022930  0.294792  1
  Fe  Fe15  1  0.160400  0.848045  0.310268  1
  Fe  Fe16  1  0.253864  0.030880  0.281080  1
  Fe  Fe17  1  0.217205  0.189597  0.294792  1
  Fe  Fe18  1  0.550538  0.856263  0.294792  1
  Fe  Fe19  1  0.683648  0.659563  0.354917  1
  Fe  Fe20  1  0.350314  0.492896  0.354917  1
  Fe  Fe21  1  0.450117  0.674747  0.324959  1
  Fe  Fe22  1  0.683648  0.159563  0.354917  1
  Fe  Fe23  1  0.783451  0.341414  0.324959  1
  Fe  Fe24  1  0.732591  0.500516  0.340726  1
  Fe  Fe25  1  0.016981  0.326229  0.354917  1
  Fe  Fe26  1  0.116784  0.508080  0.324959  1
  Fe  Fe27  1  0.065925  0.667183  0.340726  1
  Fe  Fe28  1  0.350314  0.992896  0.354917  1
  Fe  Fe29  1  0.450117  0.174747  0.324959  1
  Fe  Fe30  1  0.399258  0.333849  0.340726  1
  Fe  Fe31  1  0.783451  0.841414  0.324959  1
  Fe  Fe32  1  0.732591  1.000516  0.340726  1
  Fe  Fe33  1  0.016981  0.826229  0.354917  1
  Fe  Fe34  1  0.116784  0.008080  0.324959  1
  Fe  Fe35  1  0.065925  0.167183  0.340726  1
  Fe  Fe36  1  0.399258  0.833849  0.340726  1
  Fe  Fe37  1  0.536290  0.637368  0.400893  1
  Fe  Fe38  1  0.202956  0.470702  0.400893  1
  Fe  Fe39  1  0.301528  0.652435  0.370789  1
  Fe  Fe40  1  0.536290  0.137368  0.400893  1
  Fe  Fe41  1  0.634861  0.319101  0.370789  1
  Fe  Fe42  1  0.585972  0.478312  0.385635  1
  Fe  Fe43  1  0.869623  0.304035  0.400893  1
  Fe  Fe44  1  0.968195  0.485768  0.370789  1
  Fe  Fe45  1  0.919305  0.644979  0.385635  1
  Fe  Fe46  1  0.202956  0.970702  0.400893  1
  Fe  Fe47  1  0.301528  0.152435  0.370789  1
  Fe  Fe48  1  0.252639  0.311646  0.385635  1
  Fe  Fe49  1  0.634861  0.819101  0.370789  1
  Fe  Fe50  1  0.585972  0.978312  0.385635  1
  Fe  Fe51  1  0.869623  0.804035  0.400893  1
  Fe  Fe52  1  0.968195  0.985768  0.370789  1
  Fe  Fe53  1  0.919305  0.144979  0.385635  1
  Fe  Fe54  1  0.252639  0.811646  0.385635  1
  Fe  Fe55  1  0.389565  0.615148  0.446281  1
  Fe  Fe56  1  0.056232  0.448481  0.446281  1
  Fe  Fe57  1  0.154622  0.630128  0.415988  1
  Fe  Fe58  1  0.389565  0.115148  0.446281  1
  Fe  Fe59  1  0.487955  0.296794  0.415988  1
  Fe  Fe60  1  0.438535  0.455955  0.431319  1
  Fe  Fe61  1  0.722898  0.281814  0.446281  1
  Fe  Fe62  1  0.821289  0.463461  0.415988  1
  Fe  Fe63  1  0.771869  0.622622  0.431319  1
  Fe  Fe64  1  0.056232  0.948481  0.446281  1
  Fe  Fe65  1  0.154622  0.130128  0.415988  1
  Fe  Fe66  1  0.105202  0.289289  0.431319  1
  Fe  Fe67  1  0.487955  0.796794  0.415988  1
  Fe  Fe68  1  0.438535  0.955955  0.431319  1
  Fe  Fe69  1  0.722898  0.781814  0.446281  1
  Fe  Fe70  1  0.821289  0.963461  0.415988  1
  Fe  Fe71  1  0.771869  0.122622  0.431319  1
  Fe  Fe72  1  0.105202  0.789289  0.431319  1
  Fe  Fe73  1  0.242348  0.592852  0.491909  1
  Fe  Fe74  1  0.909014  0.426185  0.491909  1
  Fe  Fe75  1  0.007233  0.607777  0.461622  1
  Fe  Fe76  1  0.242348  0.092852  0.491909  1
  Fe  Fe77  1  0.340566  0.274444  0.461622  1
  Fe  Fe78  1  0.291588  0.433663  0.476684  1
  Fe  Fe79  1  0.575681  0.259518  0.491909  1
  Fe  Fe80  1  0.673899  0.441110  0.461622  1
  Fe  Fe81  1  0.624921  0.600330  0.476684  1
  Fe  Fe82  1  0.909014  0.926185  0.491909  1
  Fe  Fe83  1  0.007233  0.107777  0.461622  1
  Fe  Fe84  1  0.958254  0.266997  0.476684  1
  Fe  Fe85  1  0.340566  0.774444  0.461622  1
  Fe  Fe86  1  0.291588  0.933663  0.476684  1
  Fe  Fe87  1  0.575681  0.759518  0.491909  1
  Fe  Fe88  1  0.673899  0.941110  0.461622  1
  Fe  Fe89  1  0.624921  0.100330  0.476684  1
  Fe  Fe90  1  0.958254  0.766997  0.476684  1
  Fe  Fe91  1  0.095362  0.570563  0.537327  1
  Fe  Fe92  1  0.762028  0.403896  0.537327  1
  Fe  Fe93  1  0.860247  0.585489  0.507040  1
  Fe  Fe94  1  0.095362  0.070563  0.537327  1
  Fe  Fe95  1  0.193580  0.252155  0.507040  1
  Fe  Fe96  1  0.144340  0.411343  0.522265  1
  Fe  Fe97  1  0.428695  0.237230  0.537327  1
  Fe  Fe98  1  0.526913  0.418822  0.507040  1
  Fe  Fe99  1  0.477673  0.578010  0.522265  1
  Fe  Fe100  1  0.762028  0.903896  0.537327  1
  Fe  Fe101  1  0.860247  0.085489  0.507040  1
  Fe  Fe102  1  0.811007  0.244677  0.522265  1
  Fe  Fe103  1  0.193580  0.752155  0.507040  1
  Fe  Fe104  1  0.144340  0.911343  0.522265  1
  Fe  Fe105  1  0.428695  0.737230  0.537327  1
  Fe  Fe106  1  0.526913  0.918822  0.507040  1
  Fe  Fe107  1  0.477673  0.078010  0.522265  1
  Fe  Fe108  1  0.811007  0.744677  0.522265  1
  Fe  Fe109  1  0.947972  0.548212  0.582961  1
  Fe  Fe110  1  0.614639  0.381546  0.582961  1
  Fe  Fe111  1  0.713029  0.563192  0.552668  1
  Fe  Fe112  1  0.947972  0.048212  0.582961  1
  Fe  Fe113  1  0.046363  0.229859  0.552668  1
  Fe  Fe114  1  0.997392  0.389051  0.567630  1
  Fe  Fe115  1  0.281306  0.214879  0.582961  1
  Fe  Fe116  1  0.379696  0.396526  0.552668  1
  Fe  Fe117  1  0.330726  0.555718  0.567630  1
  Fe  Fe118  1  0.614639  0.881546  0.582961  1
  Fe  Fe119  1  0.713029  0.063192  0.552668  1
  Fe  Fe120  1  0.664059  0.222385  0.567630  1
  Fe  Fe121  1  0.046363  0.729859  0.552668  1
  Fe  Fe122  1  0.997392  0.889051  0.567630  1
  Fe  Fe123  1  0.281306  0.714879  0.582961  1
  Fe  Fe124  1  0.379696  0.896526  0.552668  1
  Fe  Fe125  1  0.330726  0.055718  0.567630  1
  Fe  Fe126  1  0.664059  0.722385  0.567630  1
  Fe  Fe127  1  0.801066  0.525905  0.628161  1
  Fe  Fe128  1  0.467733  0.359239  0.628161  1
  Fe  Fe129  1  0.566305  0.540972  0.598057  1
  Fe  Fe130  1  0.801066  0.025905  0.628161  1
  Fe  Fe131  1  0.899638  0.207638  0.598057  1
  Fe  Fe132  1  0.849956  0.366694  0.613314  1
  Fe  Fe133  1  0.134400  0.192572  0.628161  1
  Fe  Fe134  1  0.232971  0.374305  0.598057  1
  Fe  Fe135  1  0.183289  0.533361  0.613314  1
  Fe  Fe136  1  0.467733  0.859239  0.628161  1
  Fe  Fe137  1  0.566305  0.040972  0.598057  1
  Fe  Fe138  1  0.516622  0.200028  0.613314  1
  Fe  Fe139  1  0.899638  0.707638  0.598057  1
  Fe  Fe140  1  0.849956  0.866694  0.613314  1
  Fe  Fe141  1  0.134400  0.692572  0.628161  1
  Fe  Fe142  1  0.232971  0.874305  0.598057  1
  Fe  Fe143  1  0.183289  0.033361  0.613314  1
  Fe  Fe144  1  0.516622  0.700028  0.613314  1
  Fe  Fe145  1  0.652477  0.503593  0.673990  1
  Fe  Fe146  1  0.319144  0.336926  0.673990  1
  Fe  Fe147  1  0.418947  0.518777  0.644032  1
  Fe  Fe148  1  0.652477  0.003593  0.673990  1
  Fe  Fe149  1  0.752280  0.185444  0.644032  1
  Fe  Fe150  1  0.703336  0.344491  0.658223  1
  Fe  Fe151  1  0.985811  0.170260  0.673990  1
  Fe  Fe152  1  0.085614  0.352111  0.644032  1
  Fe  Fe153  1  0.036670  0.511157  0.658223  1
  Fe  Fe154  1  0.319144  0.836926  0.673990  1
  Fe  Fe155  1  0.418947  0.018777  0.644032  1
  Fe  Fe156  1  0.370003  0.177824  0.658223  1
  Fe  Fe157  1  0.752280  0.685444  0.644032  1
  Fe  Fe158  1  0.703336  0.844491  0.658223  1
  Fe  Fe159  1  0.985811  0.670260  0.673990  1
  Fe  Fe160  1  0.085614  0.852111  0.644032  1
  Fe  Fe161  1  0.036670  0.011157  0.658223  1
  Fe  Fe162  1  0.370003  0.677824  0.658223  1
  Fe  Fe163  1  0.515397  0.480794  0.717870  1
  Fe  Fe164  1  0.182063  0.314127  0.717870  1
  Fe  Fe165  1  0.275528  0.496962  0.688681  1
  Fe  Fe166  1  0.515397  0.980794  0.717870  1
  Fe  Fe167  1  0.608861  0.163629  0.688681  1
  Fe  Fe168  1  0.552056  0.322077  0.704157  1
  Fe  Fe169  1  0.848730  0.147460  0.717870  1
  Fe  Fe170  1  0.942194  0.330296  0.688681  1
  Fe  Fe171  1  0.885389  0.488743  0.704157  1
  Fe  Fe172  1  0.182063  0.814127  0.717870  1
  Fe  Fe173  1  0.275528  0.996962  0.688681  1
  Fe  Fe174  1  0.218723  0.155410  0.704157  1
  Fe  Fe175  1  0.608861  0.663629  0.688681  1
  Fe  Fe176  1  0.552056  0.822077  0.704157  1
  Fe  Fe177  1  0.848730  0.647460  0.717870  1
  Fe  Fe178  1  0.942194  0.830296  0.688681  1
  Fe  Fe179  1  0.885389  0.988743  0.704157  1
  Fe  Fe180  1  0.218723  0.655410  0.704157  1
  Ni  Ni181  1  0.760880  0.778433  0.279902  1
  Ni  Ni182  1  0.427547  0.611766  0.279902  1
  Ni  Ni183  1  0.377288  0.775461  0.294854  1
  Ni  Ni184  1  0.760880  0.278433  0.279902  1
  Ni  Ni185  1  0.710621  0.442128  0.294854  1
  Ni  Ni186  1  0.663837  0.597094  0.309327  1
  Ni  Ni187  1  0.094213  0.445099  0.279902  1
  Ni  Ni188  1  0.043955  0.608794  0.294854  1
  Ni  Ni189  1  0.997171  0.763761  0.309327  1
  Ni  Ni190  1  0.427547  0.111766  0.279902  1
  Ni  Ni191  1  0.377288  0.275461  0.294854  1
  Ni  Ni192  1  0.330504  0.430427  0.309327  1
  Ni  Ni193  1  0.710621  0.942128  0.294854  1
  Ni  Ni194  1  0.663837  0.097094  0.309327  1
  Ni  Ni195  1  0.094213  0.945099  0.279902  1
  Ni  Ni196  1  0.043955  0.108794  0.294854  1
  Ni  Ni197  1  0.997171  0.263761  0.309327  1
  Ni  Ni198  1  0.330504  0.930427  0.309327  1
  Ni  Ni199  1  0.614514  0.759118  0.325439  1
  Ni  Ni200  1  0.281181  0.592451  0.325439  1
  Ni  Ni201  1  0.233383  0.750132  0.340211  1
  Ni  Ni202  1  0.614514  0.259118  0.325439  1
  Ni  Ni203  1  0.566716  0.416799  0.340211  1
  Ni  Ni204  1  0.516729  0.576540  0.355289  1
  Ni  Ni205  1  0.947848  0.425784  0.325439  1
  Ni  Ni206  1  0.900050  0.583465  0.340211  1
  Ni  Ni207  1  0.850063  0.743206  0.355289  1
  Ni  Ni208  1  0.281181  0.092451  0.325439  1
  Ni  Ni209  1  0.233383  0.250132  0.340211  1
  Ni  Ni210  1  0.183396  0.409873  0.355289  1
  Ni  Ni211  1  0.566716  0.916799  0.340211  1
  Ni  Ni212  1  0.516729  0.076540  0.355289  1
  Ni  Ni213  1  0.947848  0.925784  0.325439  1
  Ni  Ni214  1  0.900050  0.083465  0.340211  1
  Ni  Ni215  1  0.850063  0.243206  0.355289  1
  Ni  Ni216  1  0.183396  0.909873  0.355289  1
  Ni  Ni217  1  0.468519  0.735439  0.370576  1
  Ni  Ni218  1  0.135185  0.568772  0.370576  1
  Ni  Ni219  1  0.085642  0.728654  0.385793  1
  Ni  Ni220  1  0.468519  0.235439  0.370576  1
  Ni  Ni221  1  0.418975  0.395321  0.385793  1
  Ni  Ni222  1  0.369973  0.553763  0.400754  1
  Ni  Ni223  1  0.801852  0.402106  0.370576  1
  Ni  Ni224  1  0.752308  0.561988  0.385793  1
  Ni  Ni225  1  0.703306  0.720430  0.400754  1
  Ni  Ni226  1  0.135185  0.068772  0.370576  1
  Ni  Ni227  1  0.085642  0.228654  0.385793  1
  Ni  Ni228  1  0.036639  0.387097  0.400754  1
  Ni  Ni229  1  0.418975  0.895321  0.385793  1
  Ni  Ni230  1  0.369973  0.053763  0.400754  1
  Ni  Ni231  1  0.801852  0.902106  0.370576  1
  Ni  Ni232  1  0.752308  0.061988  0.385793  1
  Ni  Ni233  1  0.703306  0.220430  0.400754  1
  Ni  Ni234  1  0.036639  0.887097  0.400754  1
  Ni  Ni235  1  0.321040  0.713630  0.416118  1
  Ni  Ni236  1  0.987706  0.546963  0.416118  1
  Ni  Ni237  1  0.938681  0.705850  0.431202  1
  Ni  Ni238  1  0.321040  0.213630  0.416118  1
  Ni  Ni239  1  0.272014  0.372517  0.431202  1
  Ni  Ni240  1  0.222804  0.531901  0.446367  1
  Ni  Ni241  1  0.654373  0.380296  0.416118  1
  Ni  Ni242  1  0.605348  0.539183  0.431202  1
  Ni  Ni243  1  0.556137  0.698568  0.446367  1
  Ni  Ni244  1  0.987706  0.046963  0.416118  1
  Ni  Ni245  1  0.938681  0.205850  0.431202  1
  Ni  Ni246  1  0.889470  0.365235  0.446367  1
  Ni  Ni247  1  0.272014  0.872517  0.431202  1
  Ni  Ni248  1  0.222804  0.031901  0.446367  1
  Ni  Ni249  1  0.654373  0.880296  0.416118  1
  Ni  Ni250  1  0.605348  0.039183  0.431202  1
  Ni  Ni251  1  0.556137  0.198568  0.446367  1
  Ni  Ni252  1  0.889470  0.865235  0.446367  1
  Ni  Ni253  1  0.173989  0.691021  0.461558  1
  Ni  Ni254  1  0.840656  0.524354  0.461558  1
  Ni  Ni255  1  0.791483  0.683755  0.476742  1
  Ni  Ni256  1  0.173989  0.191021  0.461558  1
  Ni  Ni257  1  0.124816  0.350422  0.476742  1
  Ni  Ni258  1  0.075800  0.509429  0.491853  1
  Ni  Ni259  1  0.507322  0.357688  0.461558  1
  Ni  Ni260  1  0.458150  0.517089  0.476742  1
  Ni  Ni261  1  0.409134  0.676096  0.491853  1
  Ni  Ni262  1  0.840656  0.024354  0.461558  1
  Ni  Ni263  1  0.791483  0.183755  0.476742  1
  Ni  Ni264  1  0.742467  0.342763  0.491853  1
  Ni  Ni265  1  0.124816  0.850422  0.476742  1
  Ni  Ni266  1  0.075800  0.009429  0.491853  1
  Ni  Ni267  1  0.507322  0.857688  0.461558  1
  Ni  Ni268  1  0.458150  0.017089  0.476742  1
  Ni  Ni269  1  0.409134  0.176096  0.491853  1
  Ni  Ni270  1  0.742467  0.842763  0.491853  1
  Ni  Ni271  1  0.026794  0.668911  0.507096  1
  Ni  Ni272  1  0.693461  0.502244  0.507096  1
  Ni  Ni273  1  0.644445  0.661251  0.522207  1
  Ni  Ni274  1  0.026794  0.168911  0.507096  1
  Ni  Ni275  1  0.977778  0.327918  0.522207  1
  Ni  Ni276  1  0.928605  0.487319  0.537392  1
  Ni  Ni277  1  0.360128  0.335577  0.507096  1
  Ni  Ni278  1  0.311111  0.494585  0.522207  1
  Ni  Ni279  1  0.261939  0.653986  0.537392  1
  Ni  Ni280  1  0.693461  0.002244  0.507096  1
  Ni  Ni281  1  0.644445  0.161251  0.522207  1
  Ni  Ni282  1  0.595272  0.320652  0.537392  1
  Ni  Ni283  1  0.977778  0.827918  0.522207  1
  Ni  Ni284  1  0.928605  0.987319  0.537392  1
  Ni  Ni285  1  0.360128  0.835577  0.507096  1
  Ni  Ni286  1  0.311111  0.994585  0.522207  1
  Ni  Ni287  1  0.261939  0.153986  0.537392  1
  Ni  Ni288  1  0.595272  0.820652  0.537392  1
  Ni  Ni289  1  0.879791  0.646439  0.552582  1
  Ni  Ni290  1  0.546458  0.479772  0.552582  1
  Ni  Ni291  1  0.497247  0.639157  0.567747  1
  Ni  Ni292  1  0.879791  0.146439  0.552582  1
  Ni  Ni293  1  0.830580  0.305824  0.567747  1
  Ni  Ni294  1  0.781555  0.464710  0.582831  1
  Ni  Ni295  1  0.213124  0.313106  0.552582  1
  Ni  Ni296  1  0.163913  0.472490  0.567747  1
  Ni  Ni297  1  0.114888  0.631377  0.582831  1
  Ni  Ni298  1  0.546458  0.979772  0.552582  1
  Ni  Ni299  1  0.497247  0.139157  0.567747  1
  Ni  Ni300  1  0.448221  0.298044  0.582831  1
  Ni  Ni301  1  0.830580  0.805824  0.567747  1
  Ni  Ni302  1  0.781555  0.964710  0.582831  1
  Ni  Ni303  1  0.213124  0.813106  0.552582  1
  Ni  Ni304  1  0.163913  0.972490  0.567747  1
  Ni  Ni305  1  0.114888  0.131377  0.582831  1
  Ni  Ni306  1  0.448221  0.798044  0.582831  1
  Ni  Ni307  1  0.732622  0.624577  0.598195  1
  Ni  Ni308  1  0.399288  0.457910  0.598195  1
  Ni  Ni309  1  0.350286  0.616352  0.613156  1
  Ni  Ni310  1  0.732622  0.124577  0.598195  1
  Ni  Ni311  1  0.683619  0.283019  0.613156  1
  Ni  Ni312  1  0.634076  0.442901  0.628373  1
  Ni  Ni313  1  0.065955  0.291244  0.598195  1
  Ni  Ni314  1  0.016953  0.449686  0.613156  1
  Ni  Ni315  1  0.967409  0.609568  0.628373  1
  Ni  Ni316  1  0.399288  0.957910  0.598195  1
  Ni  Ni317  1  0.350286  0.116352  0.613156  1
  Ni  Ni318  1  0.300742  0.276234  0.628373  1
  Ni  Ni319  1  0.683619  0.783019  0.613156  1
  Ni  Ni320  1  0.634076  0.942901  0.628373  1
  Ni  Ni321  1  0.065955  0.791244  0.598195  1
  Ni  Ni322  1  0.016953  0.949686  0.613156  1
  Ni  Ni323  1  0.967409  0.109568  0.628373  1
  Ni  Ni324  1  0.300742  0.776234  0.628373  1
  Ni  Ni325  1  0.585865  0.601800  0.643660  1
  Ni  Ni326  1  0.252532  0.435134  0.643660  1
  Ni  Ni327  1  0.202545  0.594875  0.658738  1
  Ni  Ni328  1  0.585865  0.101800  0.643660  1
  Ni  Ni329  1  0.535878  0.261541  0.658738  1
  Ni  Ni330  1  0.488080  0.419222  0.673510  1
  Ni  Ni331  1  0.919198  0.268467  0.643660  1
  Ni  Ni332  1  0.869211  0.428208  0.658738  1
  Ni  Ni333  1  0.821413  0.585889  0.673510  1
  Ni  Ni334  1  0.252532  0.935134  0.643660  1
  Ni  Ni335  1  0.202545  0.094875  0.658738  1
  Ni  Ni336  1  0.154747  0.252556  0.673510  1
  Ni  Ni337  1  0.535878  0.761541  0.658738  1
  Ni  Ni338  1  0.488080  0.919222  0.673510  1
  Ni  Ni339  1  0.919198  0.768467  0.643660  1
  Ni  Ni340  1  0.869211  0.928208  0.658738  1
  Ni  Ni341  1  0.821413  0.085889  0.673510  1
  Ni  Ni342  1  0.154747  0.752556  0.673510  1
  Ni  Ni343  1  0.438757  0.581246  0.689622  1
  Ni  Ni344  1  0.105424  0.414579  0.689622  1
  Ni  Ni345  1  0.058640  0.569546  0.704095  1
  Ni  Ni346  1  0.438757  0.081246  0.689622  1
  Ni  Ni347  1  0.391973  0.236212  0.704095  1
  Ni  Ni348  1  0.341714  0.399908  0.719047  1
  Ni  Ni349  1  0.772090  0.247913  0.689622  1
  Ni  Ni350  1  0.725307  0.402879  0.704095  1
  Ni  Ni351  1  0.675048  0.566574  0.719047  1
  Ni  Ni352  1  0.105424  0.914579  0.689622  1
  Ni  Ni353  1  0.058640  0.069546  0.704095  1
  Ni  Ni354  1  0.008381  0.233241  0.719047  1
  Ni  Ni355  1  0.391973  0.736212  0.704095  1
  Ni  Ni356  1  0.341714  0.899908  0.719047  1
  Ni  Ni357  1  0.772090  0.747913  0.689622  1
  Ni  Ni358  1  0.725307  0.902879  0.704095  1
  Ni  Ni359  1  0.675048  0.066574  0.719047  1
  Ni  Ni360  1  0.008381  0.733241  0.719047  1
