# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.64203594
_cell_length_b   11.23843644
_cell_length_c   46.88328169
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.01812216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe180 Ni180'
_cell_volume   8161.86176209
_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  0.547141  0.054882  0.314432  1
  Fe  Fe2  1  0.047141  0.054882  0.314432  1
  Fe  Fe3  1  0.239866  0.118359  0.284320  1
  Fe  Fe4  1  0.380561  0.722802  0.315470  1
  Fe  Fe5  1  0.394343  0.086002  0.299152  1
  Fe  Fe6  1  0.573313  0.785642  0.284331  1
  Fe  Fe7  1  0.739866  0.118359  0.284320  1
  Fe  Fe8  1  0.880561  0.722802  0.315470  1
  Fe  Fe9  1  0.894343  0.086002  0.299152  1
  Fe  Fe10  1  0.073313  0.785642  0.284331  1
  Fe  Fe11  1  0.253045  0.483157  0.269748  1
  Fe  Fe12  1  0.227090  0.752069  0.299626  1
  Fe  Fe13  1  0.408105  0.450316  0.284349  1
  Fe  Fe14  1  0.561943  0.419479  0.299002  1
  Fe  Fe15  1  0.753045  0.483157  0.269748  1
  Fe  Fe16  1  0.727090  0.752069  0.299626  1
  Fe  Fe17  1  0.908105  0.450316  0.284349  1
  Fe  Fe18  1  0.061943  0.419479  0.299002  1
  Fe  Fe19  1  0.506051  0.966374  0.360485  1
  Fe  Fe20  1  0.006051  0.966374  0.360485  1
  Fe  Fe21  1  0.200639  0.025845  0.330285  1
  Fe  Fe22  1  0.339621  0.633303  0.360706  1
  Fe  Fe23  1  0.352868  0.995917  0.345271  1
  Fe  Fe24  1  0.533119  0.693387  0.330612  1
  Fe  Fe25  1  0.700639  0.025845  0.330285  1
  Fe  Fe26  1  0.839621  0.633303  0.360706  1
  Fe  Fe27  1  0.852868  0.995917  0.345271  1
  Fe  Fe28  1  0.033119  0.693387  0.330612  1
  Fe  Fe29  1  0.213469  0.388769  0.314928  1
  Fe  Fe30  1  0.186466  0.662886  0.345620  1
  Fe  Fe31  1  0.367118  0.359079  0.330281  1
  Fe  Fe32  1  0.519708  0.329548  0.345309  1
  Fe  Fe33  1  0.713469  0.388769  0.314928  1
  Fe  Fe34  1  0.686466  0.662886  0.345620  1
  Fe  Fe35  1  0.867118  0.359079  0.330281  1
  Fe  Fe36  1  0.019708  0.329548  0.345309  1
  Fe  Fe37  1  0.464985  0.877770  0.406125  1
  Fe  Fe38  1  0.964985  0.877770  0.406125  1
  Fe  Fe39  1  0.159095  0.937118  0.375799  1
  Fe  Fe40  1  0.298283  0.544081  0.405968  1
  Fe  Fe41  1  0.311839  0.907366  0.390900  1
  Fe  Fe42  1  0.492381  0.603607  0.375723  1
  Fe  Fe43  1  0.659095  0.937118  0.375799  1
  Fe  Fe44  1  0.798283  0.544081  0.405968  1
  Fe  Fe45  1  0.811839  0.907366  0.390900  1
  Fe  Fe46  1  0.992381  0.603607  0.375723  1
  Fe  Fe47  1  0.172679  0.299538  0.360488  1
  Fe  Fe48  1  0.145294  0.573725  0.390821  1
  Fe  Fe49  1  0.325877  0.270121  0.375663  1
  Fe  Fe50  1  0.478682  0.240363  0.390720  1
  Fe  Fe51  1  0.672679  0.299538  0.360488  1
  Fe  Fe52  1  0.645294  0.573725  0.390821  1
  Fe  Fe53  1  0.825877  0.270121  0.375663  1
  Fe  Fe54  1  0.978682  0.240363  0.390720  1
  Fe  Fe55  1  0.423920  0.788602  0.451496  1
  Fe  Fe56  1  0.923920  0.788602  0.451496  1
  Fe  Fe57  1  0.117999  0.848102  0.421258  1
  Fe  Fe58  1  0.257243  0.455113  0.451417  1
  Fe  Fe59  1  0.270909  0.818326  0.436363  1
  Fe  Fe60  1  0.451320  0.514530  0.421127  1
  Fe  Fe61  1  0.617999  0.848102  0.421258  1
  Fe  Fe62  1  0.757243  0.455113  0.451417  1
  Fe  Fe63  1  0.770909  0.818326  0.436363  1
  Fe  Fe64  1  0.951320  0.514530  0.421127  1
  Fe  Fe65  1  0.131572  0.210694  0.405907  1
  Fe  Fe66  1  0.104265  0.484784  0.436260  1
  Fe  Fe67  1  0.284689  0.181210  0.421141  1
  Fe  Fe68  1  0.437589  0.151519  0.436275  1
  Fe  Fe69  1  0.631572  0.210694  0.405907  1
  Fe  Fe70  1  0.604265  0.484784  0.436260  1
  Fe  Fe71  1  0.784689  0.181210  0.421141  1
  Fe  Fe72  1  0.937589  0.151519  0.436275  1
  Fe  Fe73  1  0.382831  0.699480  0.496866  1
  Fe  Fe74  1  0.882831  0.699480  0.496866  1
  Fe  Fe75  1  0.076912  0.758912  0.466614  1
  Fe  Fe76  1  0.216173  0.366263  0.496932  1
  Fe  Fe77  1  0.229846  0.729176  0.481733  1
  Fe  Fe78  1  0.410252  0.425554  0.466596  1
  Fe  Fe79  1  0.576912  0.758912  0.466614  1
  Fe  Fe80  1  0.716173  0.366263  0.496932  1
  Fe  Fe81  1  0.729846  0.729176  0.481733  1
  Fe  Fe82  1  0.910252  0.425554  0.466596  1
  Fe  Fe83  1  0.090537  0.121943  0.451468  1
  Fe  Fe84  1  0.063194  0.395866  0.481749  1
  Fe  Fe85  1  0.243565  0.092356  0.466659  1
  Fe  Fe86  1  0.396509  0.062639  0.481789  1
  Fe  Fe87  1  0.590537  0.121943  0.451468  1
  Fe  Fe88  1  0.563194  0.395866  0.481749  1
  Fe  Fe89  1  0.743565  0.092356  0.466659  1
  Fe  Fe90  1  0.896509  0.062639  0.481789  1
  Fe  Fe91  1  0.341755  0.610486  0.542316  1
  Fe  Fe92  1  0.841755  0.610486  0.542316  1
  Fe  Fe93  1  0.035847  0.669845  0.512029  1
  Fe  Fe94  1  0.175083  0.277417  0.542446  1
  Fe  Fe95  1  0.188758  0.640130  0.527162  1
  Fe  Fe96  1  0.369165  0.336743  0.512136  1
  Fe  Fe97  1  0.535847  0.669845  0.512029  1
  Fe  Fe98  1  0.675083  0.277417  0.542446  1
  Fe  Fe99  1  0.688758  0.640130  0.527162  1
  Fe  Fe100  1  0.869165  0.336743  0.512136  1
  Fe  Fe101  1  0.049481  0.032985  0.496937  1
  Fe  Fe102  1  0.022100  0.307062  0.527293  1
  Fe  Fe103  1  0.202499  0.003321  0.512082  1
  Fe  Fe104  1  0.355461  0.973554  0.527198  1
  Fe  Fe105  1  0.549481  0.032985  0.496937  1
  Fe  Fe106  1  0.522100  0.307062  0.527293  1
  Fe  Fe107  1  0.702499  0.003321  0.512082  1
  Fe  Fe108  1  0.855461  0.973554  0.527198  1
  Fe  Fe109  1  0.300727  0.521863  0.587949  1
  Fe  Fe110  1  0.800727  0.521863  0.587949  1
  Fe  Fe111  1  0.994817  0.580929  0.557540  1
  Fe  Fe112  1  0.134008  0.188165  0.587775  1
  Fe  Fe113  1  0.147649  0.551292  0.572721  1
  Fe  Fe114  1  0.328056  0.247837  0.557607  1
  Fe  Fe115  1  0.494817  0.580929  0.557540  1
  Fe  Fe116  1  0.634008  0.188165  0.587775  1
  Fe  Fe117  1  0.647649  0.551292  0.572721  1
  Fe  Fe118  1  0.828056  0.247837  0.557607  1
  Fe  Fe119  1  0.008411  0.943870  0.542317  1
  Fe  Fe120  1  0.980987  0.218011  0.572706  1
  Fe  Fe121  1  0.161453  0.914252  0.557477  1
  Fe  Fe122  1  0.314397  0.884411  0.572582  1
  Fe  Fe123  1  0.508411  0.943870  0.542317  1
  Fe  Fe124  1  0.480987  0.218011  0.572706  1
  Fe  Fe125  1  0.661453  0.914252  0.557477  1
  Fe  Fe126  1  0.814397  0.884411  0.572582  1
  Fe  Fe127  1  0.259297  0.433394  0.633496  1
  Fe  Fe128  1  0.759297  0.433394  0.633496  1
  Fe  Fe129  1  0.953902  0.492394  0.603252  1
  Fe  Fe130  1  0.092944  0.098952  0.633100  1
  Fe  Fe131  1  0.106383  0.462838  0.618440  1
  Fe  Fe132  1  0.287041  0.158719  0.602952  1
  Fe  Fe133  1  0.453902  0.492394  0.603252  1
  Fe  Fe134  1  0.592944  0.098952  0.633100  1
  Fe  Fe135  1  0.606383  0.462838  0.618440  1
  Fe  Fe136  1  0.787041  0.158719  0.602952  1
  Fe  Fe137  1  0.967304  0.854734  0.587693  1
  Fe  Fe138  1  0.939996  0.128918  0.618058  1
  Fe  Fe139  1  0.120470  0.825206  0.602910  1
  Fe  Fe140  1  0.273339  0.795117  0.617942  1
  Fe  Fe141  1  0.467304  0.854734  0.587693  1
  Fe  Fe142  1  0.439996  0.128918  0.618058  1
  Fe  Fe143  1  0.620470  0.825206  0.602910  1
  Fe  Fe144  1  0.773339  0.795117  0.617942  1
  Fe  Fe145  1  0.218209  0.342846  0.678398  1
  Fe  Fe146  1  0.718209  0.342846  0.678398  1
  Fe  Fe147  1  0.912850  0.403050  0.648615  1
  Fe  Fe148  1  0.051896  0.009668  0.678328  1
  Fe  Fe149  1  0.065070  0.373101  0.663679  1
  Fe  Fe150  1  0.245856  0.070196  0.648361  1
  Fe  Fe151  1  0.412850  0.403050  0.648615  1
  Fe  Fe152  1  0.551896  0.009668  0.678328  1
  Fe  Fe153  1  0.565070  0.373101  0.663679  1
  Fe  Fe154  1  0.745856  0.070196  0.648361  1
  Fe  Fe155  1  0.926034  0.765498  0.633069  1
  Fe  Fe156  1  0.898864  0.040251  0.663323  1
  Fe  Fe157  1  0.079470  0.736223  0.648418  1
  Fe  Fe158  1  0.232668  0.705843  0.663383  1
  Fe  Fe159  1  0.426034  0.765498  0.633069  1
  Fe  Fe160  1  0.398864  0.040251  0.663323  1
  Fe  Fe161  1  0.579470  0.736223  0.648418  1
  Fe  Fe162  1  0.732668  0.705843  0.663383  1
  Fe  Fe163  1  0.178873  0.249993  0.724393  1
  Fe  Fe164  1  0.678873  0.249993  0.724393  1
  Fe  Fe165  1  0.872214  0.311879  0.694090  1
  Fe  Fe166  1  0.011803  0.912471  0.724044  1
  Fe  Fe167  1  0.024226  0.282113  0.709652  1
  Fe  Fe168  1  0.205361  0.981006  0.694221  1
  Fe  Fe169  1  0.372214  0.311879  0.694090  1
  Fe  Fe170  1  0.511803  0.912471  0.724044  1
  Fe  Fe171  1  0.524226  0.282113  0.709652  1
  Fe  Fe172  1  0.705361  0.981006  0.694221  1
  Fe  Fe173  1  0.885016  0.677777  0.679569  1
  Fe  Fe174  1  0.858181  0.946984  0.709342  1
  Fe  Fe175  1  0.036696  0.650981  0.695908  1
  Fe  Fe176  1  0.192003  0.616255  0.709836  1
  Fe  Fe177  1  0.385016  0.677777  0.679569  1
  Fe  Fe178  1  0.358181  0.946984  0.709342  1
  Fe  Fe179  1  0.536696  0.650981  0.695908  1
  Fe  Fe180  1  0.692003  0.616255  0.709836  1
  Ni  Ni181  1  0.630212  0.222168  0.314844  1
  Ni  Ni182  1  0.130212  0.222168  0.314844  1
  Ni  Ni183  1  0.323910  0.284253  0.284669  1
  Ni  Ni184  1  0.463378  0.888940  0.314893  1
  Ni  Ni185  1  0.477763  0.252560  0.299591  1
  Ni  Ni186  1  0.658507  0.949435  0.285009  1
  Ni  Ni187  1  0.823910  0.284253  0.284669  1
  Ni  Ni188  1  0.963378  0.888940  0.314893  1
  Ni  Ni189  1  0.977763  0.252560  0.299591  1
  Ni  Ni190  1  0.158507  0.949435  0.285009  1
  Ni  Ni191  1  0.338541  0.647184  0.270607  1
  Ni  Ni192  1  0.311201  0.917975  0.299343  1
  Ni  Ni193  1  0.490835  0.617677  0.284974  1
  Ni  Ni194  1  0.643385  0.587526  0.300126  1
  Ni  Ni195  1  0.838541  0.647184  0.270607  1
  Ni  Ni196  1  0.811201  0.917975  0.299343  1
  Ni  Ni197  1  0.990835  0.617677  0.284974  1
  Ni  Ni198  1  0.143385  0.587526  0.300126  1
  Ni  Ni199  1  0.589234  0.132856  0.360325  1
  Ni  Ni200  1  0.089234  0.132856  0.360325  1
  Ni  Ni201  1  0.283932  0.192420  0.330214  1
  Ni  Ni202  1  0.422587  0.800317  0.360814  1
  Ni  Ni203  1  0.436458  0.162371  0.345173  1
  Ni  Ni204  1  0.617081  0.859087  0.330436  1
  Ni  Ni205  1  0.783932  0.192420  0.330214  1
  Ni  Ni206  1  0.922587  0.800317  0.360814  1
  Ni  Ni207  1  0.936458  0.162371  0.345173  1
  Ni  Ni208  1  0.117081  0.859087  0.330436  1
  Ni  Ni209  1  0.297465  0.555393  0.315486  1
  Ni  Ni210  1  0.269424  0.829534  0.345416  1
  Ni  Ni211  1  0.450473  0.525610  0.330165  1
  Ni  Ni212  1  0.602878  0.496121  0.345273  1
  Ni  Ni213  1  0.797465  0.555393  0.315486  1
  Ni  Ni214  1  0.769424  0.829534  0.345416  1
  Ni  Ni215  1  0.950473  0.525610  0.330165  1
  Ni  Ni216  1  0.102878  0.496121  0.345273  1
  Ni  Ni217  1  0.548264  0.044246  0.405977  1
  Ni  Ni218  1  0.048264  0.044246  0.405977  1
  Ni  Ni219  1  0.242457  0.103606  0.375681  1
  Ni  Ni220  1  0.381657  0.710980  0.406097  1
  Ni  Ni221  1  0.395345  0.073751  0.390766  1
  Ni  Ni222  1  0.575765  0.770481  0.375884  1
  Ni  Ni223  1  0.742457  0.103606  0.375681  1
  Ni  Ni224  1  0.881657  0.710980  0.406097  1
  Ni  Ni225  1  0.895345  0.073751  0.390766  1
  Ni  Ni226  1  0.075765  0.770481  0.375884  1
  Ni  Ni227  1  0.255994  0.466235  0.360491  1
  Ni  Ni228  1  0.228682  0.740635  0.390952  1
  Ni  Ni229  1  0.409116  0.436869  0.375675  1
  Ni  Ni230  1  0.562005  0.407094  0.390785  1
  Ni  Ni231  1  0.755994  0.466235  0.360491  1
  Ni  Ni232  1  0.728682  0.740635  0.390952  1
  Ni  Ni233  1  0.909116  0.436869  0.375675  1
  Ni  Ni234  1  0.062005  0.407094  0.390785  1
  Ni  Ni235  1  0.507236  0.955345  0.451513  1
  Ni  Ni236  1  0.007236  0.955345  0.451513  1
  Ni  Ni237  1  0.201296  0.014723  0.421217  1
  Ni  Ni238  1  0.340559  0.621822  0.451430  1
  Ni  Ni239  1  0.354225  0.984982  0.436341  1
  Ni  Ni240  1  0.534658  0.681255  0.421180  1
  Ni  Ni241  1  0.701296  0.014723  0.421217  1
  Ni  Ni242  1  0.840559  0.621822  0.451430  1
  Ni  Ni243  1  0.854225  0.984982  0.436341  1
  Ni  Ni244  1  0.034658  0.681255  0.421180  1
  Ni  Ni245  1  0.214979  0.377354  0.405949  1
  Ni  Ni246  1  0.187590  0.651496  0.436288  1
  Ni  Ni247  1  0.368037  0.347821  0.421122  1
  Ni  Ni248  1  0.520926  0.318132  0.436251  1
  Ni  Ni249  1  0.714979  0.377354  0.405949  1
  Ni  Ni250  1  0.687590  0.651496  0.436288  1
  Ni  Ni251  1  0.868037  0.347821  0.421122  1
  Ni  Ni252  1  0.020926  0.318132  0.436251  1
  Ni  Ni253  1  0.466177  0.866225  0.496905  1
  Ni  Ni254  1  0.966177  0.866225  0.496905  1
  Ni  Ni255  1  0.160230  0.925684  0.466662  1
  Ni  Ni256  1  0.299494  0.532833  0.496881  1
  Ni  Ni257  1  0.313185  0.895936  0.481777  1
  Ni  Ni258  1  0.493581  0.592180  0.466583  1
  Ni  Ni259  1  0.660230  0.925684  0.466662  1
  Ni  Ni260  1  0.799494  0.532833  0.496881  1
  Ni  Ni261  1  0.813185  0.895936  0.481777  1
  Ni  Ni262  1  0.993581  0.592180  0.466583  1
  Ni  Ni263  1  0.173893  0.288496  0.451428  1
  Ni  Ni264  1  0.146525  0.562472  0.481721  1
  Ni  Ni265  1  0.326923  0.258947  0.466627  1
  Ni  Ni266  1  0.479834  0.229303  0.481783  1
  Ni  Ni267  1  0.673893  0.288496  0.451428  1
  Ni  Ni268  1  0.646525  0.562472  0.481721  1
  Ni  Ni269  1  0.826923  0.258947  0.466627  1
  Ni  Ni270  1  0.979834  0.229303  0.481783  1
  Ni  Ni271  1  0.425104  0.777109  0.542289  1
  Ni  Ni272  1  0.925104  0.777109  0.542289  1
  Ni  Ni273  1  0.119170  0.836567  0.512048  1
  Ni  Ni274  1  0.258423  0.444028  0.542441  1
  Ni  Ni275  1  0.272111  0.806826  0.527163  1
  Ni  Ni276  1  0.452522  0.503243  0.512070  1
  Ni  Ni277  1  0.619170  0.836567  0.512048  1
  Ni  Ni278  1  0.758423  0.444028  0.542441  1
  Ni  Ni279  1  0.772111  0.806826  0.527163  1
  Ni  Ni280  1  0.952522  0.503243  0.512070  1
  Ni  Ni281  1  0.132812  0.199678  0.496951  1
  Ni  Ni282  1  0.105455  0.473570  0.527238  1
  Ni  Ni283  1  0.285827  0.170058  0.512118  1
  Ni  Ni284  1  0.438744  0.140359  0.527245  1
  Ni  Ni285  1  0.632812  0.199678  0.496951  1
  Ni  Ni286  1  0.605455  0.473570  0.527238  1
  Ni  Ni287  1  0.785827  0.170058  0.512118  1
  Ni  Ni288  1  0.938744  0.140359  0.527245  1
  Ni  Ni289  1  0.384050  0.688047  0.587719  1
  Ni  Ni290  1  0.884050  0.688047  0.587719  1
  Ni  Ni291  1  0.078115  0.747536  0.557474  1
  Ni  Ni292  1  0.217241  0.355284  0.587964  1
  Ni  Ni293  1  0.231004  0.717770  0.572573  1
  Ni  Ni294  1  0.411459  0.414509  0.557661  1
  Ni  Ni295  1  0.578115  0.747536  0.557474  1
  Ni  Ni296  1  0.717241  0.355284  0.587964  1
  Ni  Ni297  1  0.731004  0.717770  0.572573  1
  Ni  Ni298  1  0.911459  0.414509  0.557661  1
  Ni  Ni299  1  0.091730  0.110646  0.542361  1
  Ni  Ni300  1  0.064368  0.384783  0.572822  1
  Ni  Ni301  1  0.244799  0.080963  0.557509  1
  Ni  Ni302  1  0.397689  0.051234  0.572631  1
  Ni  Ni303  1  0.591730  0.110646  0.542361  1
  Ni  Ni304  1  0.564368  0.384783  0.572822  1
  Ni  Ni305  1  0.744799  0.080963  0.557509  1
  Ni  Ni306  1  0.897689  0.051234  0.572631  1
  Ni  Ni307  1  0.343403  0.599286  0.633478  1
  Ni  Ni308  1  0.843403  0.599286  0.633478  1
  Ni  Ni309  1  0.037045  0.658692  0.603018  1
  Ni  Ni310  1  0.175997  0.266072  0.633161  1
  Ni  Ni311  1  0.189882  0.628883  0.618144  1
  Ni  Ni312  1  0.370291  0.325718  0.603097  1
  Ni  Ni313  1  0.537045  0.658692  0.603018  1
  Ni  Ni314  1  0.675997  0.266072  0.633161  1
  Ni  Ni315  1  0.689882  0.628883  0.618144  1
  Ni  Ni316  1  0.870291  0.325718  0.603097  1
  Ni  Ni317  1  0.050659  0.021458  0.587722  1
  Ni  Ni318  1  0.023276  0.295634  0.618159  1
  Ni  Ni319  1  0.203817  0.991841  0.602914  1
  Ni  Ni320  1  0.356549  0.962144  0.618012  1
  Ni  Ni321  1  0.550659  0.021458  0.587722  1
  Ni  Ni322  1  0.523276  0.295634  0.618159  1
  Ni  Ni323  1  0.703817  0.991841  0.602914  1
  Ni  Ni324  1  0.856549  0.962144  0.618012  1
  Ni  Ni325  1  0.301953  0.510358  0.678986  1
  Ni  Ni326  1  0.801953  0.510358  0.678986  1
  Ni  Ni327  1  0.996000  0.570524  0.649083  1
  Ni  Ni328  1  0.134695  0.176812  0.678546  1
  Ni  Ni329  1  0.147977  0.540701  0.664138  1
  Ni  Ni330  1  0.329398  0.236629  0.648356  1
  Ni  Ni331  1  0.496000  0.570524  0.649083  1
  Ni  Ni332  1  0.634695  0.176812  0.678546  1
  Ni  Ni333  1  0.647977  0.540701  0.664138  1
  Ni  Ni334  1  0.829398  0.236629  0.648356  1
  Ni  Ni335  1  0.009580  0.932232  0.633055  1
  Ni  Ni336  1  0.982551  0.206152  0.663566  1
  Ni  Ni337  1  0.163110  0.902873  0.648363  1
  Ni  Ni338  1  0.315304  0.873526  0.663306  1
  Ni  Ni339  1  0.509580  0.932232  0.633055  1
  Ni  Ni340  1  0.482551  0.206152  0.663566  1
  Ni  Ni341  1  0.663110  0.902873  0.648363  1
  Ni  Ni342  1  0.815304  0.873526  0.663306  1
  Ni  Ni343  1  0.261294  0.418638  0.723246  1
  Ni  Ni344  1  0.761294  0.418638  0.723246  1
  Ni  Ni345  1  0.954131  0.480744  0.694565  1
  Ni  Ni346  1  0.093681  0.083800  0.723769  1
  Ni  Ni347  1  0.107889  0.449478  0.709229  1
  Ni  Ni348  1  0.288928  0.146358  0.694005  1
  Ni  Ni349  1  0.454131  0.480744  0.694565  1
  Ni  Ni350  1  0.593681  0.083800  0.723769  1
  Ni  Ni351  1  0.607889  0.449478  0.709229  1
  Ni  Ni352  1  0.788928  0.146358  0.694005  1
  Ni  Ni353  1  0.968133  0.843882  0.678174  1
  Ni  Ni354  1  0.941424  0.114353  0.709248  1
  Ni  Ni355  1  0.123076  0.813946  0.693636  1
  Ni  Ni356  1  0.273930  0.783332  0.708929  1
  Ni  Ni357  1  0.468133  0.843882  0.678174  1
  Ni  Ni358  1  0.441424  0.114353  0.709248  1
  Ni  Ni359  1  0.623076  0.813946  0.693636  1
  Ni  Ni360  1  0.773930  0.783332  0.708929  1
