# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.54963418
_cell_length_b   10.03162507
_cell_length_c   47.36700386
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.67838402
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe162 Ni162'
_cell_volume   7420.93458451
_cell_formula_units_Z   162
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  0.616271  0.092587  0.295771  1
  Fe  Fe2  1  0.283263  0.091948  0.296036  1
  Fe  Fe3  1  0.432375  0.011277  0.313166  1
  Fe  Fe4  1  0.630856  0.673414  0.279801  1
  Fe  Fe5  1  0.950892  0.092311  0.295897  1
  Fe  Fe6  1  0.098798  0.009977  0.313620  1
  Fe  Fe7  1  0.298239  0.672346  0.279778  1
  Fe  Fe8  1  0.450892  0.592311  0.295897  1
  Fe  Fe9  1  0.598798  0.509977  0.313620  1
  Fe  Fe10  1  0.765358  0.010046  0.313557  1
  Fe  Fe11  1  0.916324  0.928198  0.330435  1
  Fe  Fe12  1  0.116271  0.592587  0.295771  1
  Fe  Fe13  1  0.265358  0.510046  0.313557  1
  Fe  Fe14  1  0.416324  0.428198  0.330435  1
  Fe  Fe15  1  0.783263  0.591948  0.296036  1
  Fe  Fe16  1  0.932375  0.511277  0.313166  1
  Fe  Fe17  1  0.130856  0.173414  0.279801  1
  Fe  Fe18  1  0.798239  0.172346  0.279778  1
  Fe  Fe19  1  0.565248  0.345996  0.346889  1
  Fe  Fe20  1  0.232368  0.345490  0.346653  1
  Fe  Fe21  1  0.382094  0.263686  0.363233  1
  Fe  Fe22  1  0.583255  0.927492  0.330207  1
  Fe  Fe23  1  0.898440  0.346209  0.346749  1
  Fe  Fe24  1  0.048803  0.263771  0.363418  1
  Fe  Fe25  1  0.249622  0.927336  0.330166  1
  Fe  Fe26  1  0.398440  0.846209  0.346749  1
  Fe  Fe27  1  0.548803  0.763771  0.363418  1
  Fe  Fe28  1  0.715449  0.263774  0.363358  1
  Fe  Fe29  1  0.864731  0.182262  0.379968  1
  Fe  Fe30  1  0.065248  0.845996  0.346889  1
  Fe  Fe31  1  0.215449  0.763774  0.363358  1
  Fe  Fe32  1  0.364731  0.682262  0.379968  1
  Fe  Fe33  1  0.732368  0.845490  0.346653  1
  Fe  Fe34  1  0.882094  0.763686  0.363233  1
  Fe  Fe35  1  0.083255  0.427492  0.330207  1
  Fe  Fe36  1  0.749622  0.427336  0.330166  1
  Fe  Fe37  1  0.514598  0.600480  0.396681  1
  Fe  Fe38  1  0.181188  0.600616  0.396663  1
  Fe  Fe39  1  0.330753  0.519008  0.413385  1
  Fe  Fe40  1  0.531316  0.182232  0.379868  1
  Fe  Fe41  1  0.847963  0.600501  0.396593  1
  Fe  Fe42  1  0.997505  0.518846  0.413286  1
  Fe  Fe43  1  0.198186  0.182339  0.379972  1
  Fe  Fe44  1  0.347963  0.100501  0.396593  1
  Fe  Fe45  1  0.497505  0.018846  0.413286  1
  Fe  Fe46  1  0.664148  0.518954  0.413374  1
  Fe  Fe47  1  0.813895  0.437211  0.430031  1
  Fe  Fe48  1  0.014598  0.100480  0.396681  1
  Fe  Fe49  1  0.164148  0.018954  0.413374  1
  Fe  Fe50  1  0.313895  0.937211  0.430031  1
  Fe  Fe51  1  0.681188  0.100616  0.396663  1
  Fe  Fe52  1  0.830753  0.019008  0.413385  1
  Fe  Fe53  1  0.031316  0.682232  0.379868  1
  Fe  Fe54  1  0.698186  0.682339  0.379972  1
  Fe  Fe55  1  0.463501  0.855517  0.446676  1
  Fe  Fe56  1  0.130178  0.855493  0.446688  1
  Fe  Fe57  1  0.279876  0.773792  0.463329  1
  Fe  Fe58  1  0.480557  0.437198  0.430080  1
  Fe  Fe59  1  0.796866  0.855532  0.446666  1
  Fe  Fe60  1  0.946527  0.773800  0.463310  1
  Fe  Fe61  1  0.147271  0.437162  0.430017  1
  Fe  Fe62  1  0.296866  0.355532  0.446666  1
  Fe  Fe63  1  0.446527  0.273800  0.463310  1
  Fe  Fe64  1  0.613208  0.773801  0.463345  1
  Fe  Fe65  1  0.762843  0.692136  0.479990  1
  Fe  Fe66  1  0.963501  0.355517  0.446676  1
  Fe  Fe67  1  0.113208  0.273801  0.463345  1
  Fe  Fe68  1  0.262843  0.192136  0.479990  1
  Fe  Fe69  1  0.630178  0.355493  0.446688  1
  Fe  Fe70  1  0.779876  0.273792  0.463329  1
  Fe  Fe71  1  0.980557  0.937198  0.430080  1
  Fe  Fe72  1  0.647271  0.937162  0.430017  1
  Fe  Fe73  1  0.412487  0.110436  0.496638  1
  Fe  Fe74  1  0.079163  0.110450  0.496699  1
  Fe  Fe75  1  0.228784  0.028796  0.513366  1
  Fe  Fe76  1  0.429518  0.692116  0.480008  1
  Fe  Fe77  1  0.745868  0.110433  0.496646  1
  Fe  Fe78  1  0.895561  0.028737  0.513336  1
  Fe  Fe79  1  0.096164  0.692107  0.479956  1
  Fe  Fe80  1  0.245868  0.610433  0.496646  1
  Fe  Fe81  1  0.395561  0.528737  0.513336  1
  Fe  Fe82  1  0.562162  0.028729  0.513293  1
  Fe  Fe83  1  0.711865  0.947053  0.529951  1
  Fe  Fe84  1  0.912487  0.610436  0.496638  1
  Fe  Fe85  1  0.062162  0.528729  0.513293  1
  Fe  Fe86  1  0.211865  0.447053  0.529951  1
  Fe  Fe87  1  0.579163  0.610450  0.496699  1
  Fe  Fe88  1  0.728784  0.528796  0.513366  1
  Fe  Fe89  1  0.929518  0.192116  0.480008  1
  Fe  Fe90  1  0.596164  0.192107  0.479956  1
  Fe  Fe91  1  0.361607  0.365318  0.546609  1
  Fe  Fe92  1  0.028062  0.365388  0.546659  1
  Fe  Fe93  1  0.177727  0.283726  0.563294  1
  Fe  Fe94  1  0.378378  0.947126  0.530005  1
  Fe  Fe95  1  0.694841  0.365339  0.546635  1
  Fe  Fe96  1  0.844421  0.283701  0.563324  1
  Fe  Fe97  1  0.045185  0.947037  0.529989  1
  Fe  Fe98  1  0.194841  0.865339  0.546635  1
  Fe  Fe99  1  0.344421  0.783701  0.563324  1
  Fe  Fe100  1  0.511207  0.283606  0.563240  1
  Fe  Fe101  1  0.660935  0.201902  0.579912  1
  Fe  Fe102  1  0.861607  0.865318  0.546609  1
  Fe  Fe103  1  0.011207  0.783606  0.563240  1
  Fe  Fe104  1  0.160935  0.701902  0.579912  1
  Fe  Fe105  1  0.528062  0.865388  0.546659  1
  Fe  Fe106  1  0.677727  0.783726  0.563294  1
  Fe  Fe107  1  0.878378  0.447126  0.530005  1
  Fe  Fe108  1  0.545185  0.447037  0.529989  1
  Fe  Fe109  1  0.310500  0.620390  0.596658  1
  Fe  Fe110  1  0.977244  0.620175  0.596592  1
  Fe  Fe111  1  0.127042  0.538413  0.613211  1
  Fe  Fe112  1  0.327586  0.201953  0.579950  1
  Fe  Fe113  1  0.643544  0.620498  0.596820  1
  Fe  Fe114  1  0.793311  0.538868  0.613453  1
  Fe  Fe115  1  0.994133  0.201982  0.580106  1
  Fe  Fe116  1  0.143544  0.120498  0.596820  1
  Fe  Fe117  1  0.293311  0.038868  0.613453  1
  Fe  Fe118  1  0.460326  0.538550  0.613402  1
  Fe  Fe119  1  0.609416  0.457070  0.629982  1
  Fe  Fe120  1  0.810500  0.120390  0.596658  1
  Fe  Fe121  1  0.960326  0.038550  0.613402  1
  Fe  Fe122  1  0.109416  0.957070  0.629982  1
  Fe  Fe123  1  0.477244  0.120175  0.596592  1
  Fe  Fe124  1  0.627042  0.038413  0.613211  1
  Fe  Fe125  1  0.827586  0.701953  0.579950  1
  Fe  Fe126  1  0.494133  0.701982  0.580106  1
  Fe  Fe127  1  0.259510  0.875145  0.646567  1
  Fe  Fe128  1  0.926677  0.875016  0.646560  1
  Fe  Fe129  1  0.075122  0.793927  0.663141  1
  Fe  Fe130  1  0.276464  0.457072  0.629833  1
  Fe  Fe131  1  0.593071  0.875040  0.646422  1
  Fe  Fe132  1  0.742830  0.792598  0.662897  1
  Fe  Fe133  1  0.942696  0.457152  0.629926  1
  Fe  Fe134  1  0.093071  0.375040  0.646422  1
  Fe  Fe135  1  0.242830  0.292598  0.662897  1
  Fe  Fe136  1  0.408164  0.793677  0.663395  1
  Fe  Fe137  1  0.558891  0.712802  0.680475  1
  Fe  Fe138  1  0.759510  0.375145  0.646567  1
  Fe  Fe139  1  0.908164  0.293677  0.663395  1
  Fe  Fe140  1  0.058891  0.212802  0.680475  1
  Fe  Fe141  1  0.426677  0.375016  0.646560  1
  Fe  Fe142  1  0.575122  0.293927  0.663141  1
  Fe  Fe143  1  0.776464  0.957072  0.629833  1
  Fe  Fe144  1  0.442696  0.957152  0.629926  1
  Fe  Fe145  1  0.207247  0.128873  0.697642  1
  Fe  Fe146  1  0.873462  0.127581  0.697500  1
  Fe  Fe147  1  0.026954  0.047043  0.713734  1
  Fe  Fe148  1  0.225802  0.710863  0.679675  1
  Fe  Fe149  1  0.541872  0.129070  0.696994  1
  Fe  Fe150  1  0.694285  0.047725  0.713639  1
  Fe  Fe151  1  0.893148  0.710270  0.679719  1
  Fe  Fe152  1  0.041872  0.629070  0.696994  1
  Fe  Fe153  1  0.194285  0.547725  0.713639  1
  Fe  Fe154  1  0.359402  0.047309  0.713559  1
  Fe  Fe155  1  0.511329  0.958048  0.729316  1
  Fe  Fe156  1  0.707247  0.628873  0.697642  1
  Fe  Fe157  1  0.859402  0.547309  0.713559  1
  Fe  Fe158  1  0.011329  0.458048  0.729316  1
  Fe  Fe159  1  0.373462  0.627581  0.697500  1
  Fe  Fe160  1  0.526954  0.547043  0.713734  1
  Fe  Fe161  1  0.725802  0.210863  0.679675  1
  Fe  Fe162  1  0.393148  0.210270  0.679719  1
  Ni  Ni163  1  0.533114  0.341646  0.296576  1
  Ni  Ni164  1  0.200085  0.341512  0.296299  1
  Ni  Ni165  1  0.350127  0.259894  0.313108  1
  Ni  Ni166  1  0.549236  0.922800  0.280952  1
  Ni  Ni167  1  0.866744  0.341306  0.296340  1
  Ni  Ni168  1  0.015747  0.260286  0.313652  1
  Ni  Ni169  1  0.215219  0.922596  0.280633  1
  Ni  Ni170  1  0.366744  0.841306  0.296340  1
  Ni  Ni171  1  0.515747  0.760286  0.313652  1
  Ni  Ni172  1  0.682480  0.259821  0.313566  1
  Ni  Ni173  1  0.883017  0.922787  0.281172  1
  Ni  Ni174  1  0.033114  0.841646  0.296576  1
  Ni  Ni175  1  0.182480  0.759821  0.313566  1
  Ni  Ni176  1  0.383017  0.422787  0.281172  1
  Ni  Ni177  1  0.700085  0.841512  0.296299  1
  Ni  Ni178  1  0.850127  0.759894  0.313108  1
  Ni  Ni179  1  0.049236  0.422800  0.280952  1
  Ni  Ni180  1  0.715219  0.422596  0.280633  1
  Ni  Ni181  1  0.481871  0.596319  0.346702  1
  Ni  Ni182  1  0.148629  0.595956  0.346674  1
  Ni  Ni183  1  0.298496  0.513903  0.363375  1
  Ni  Ni184  1  0.499511  0.177646  0.329543  1
  Ni  Ni185  1  0.815255  0.595894  0.346593  1
  Ni  Ni186  1  0.965280  0.513701  0.363247  1
  Ni  Ni187  1  0.166133  0.177312  0.329872  1
  Ni  Ni188  1  0.315255  0.095894  0.346593  1
  Ni  Ni189  1  0.465280  0.013701  0.363247  1
  Ni  Ni190  1  0.631990  0.513884  0.363380  1
  Ni  Ni191  1  0.832984  0.177210  0.329809  1
  Ni  Ni192  1  0.981871  0.096319  0.346702  1
  Ni  Ni193  1  0.131990  0.013884  0.363380  1
  Ni  Ni194  1  0.332984  0.677210  0.329809  1
  Ni  Ni195  1  0.648629  0.095956  0.346674  1
  Ni  Ni196  1  0.798496  0.013903  0.363375  1
  Ni  Ni197  1  0.999511  0.677646  0.329543  1
  Ni  Ni198  1  0.666133  0.677312  0.329872  1
  Ni  Ni199  1  0.431231  0.850445  0.396678  1
  Ni  Ni200  1  0.097919  0.850430  0.396729  1
  Ni  Ni201  1  0.247517  0.768945  0.413358  1
  Ni  Ni202  1  0.448135  0.432329  0.380207  1
  Ni  Ni203  1  0.764665  0.850491  0.396651  1
  Ni  Ni204  1  0.914180  0.768882  0.413312  1
  Ni  Ni205  1  0.115016  0.432286  0.380072  1
  Ni  Ni206  1  0.264665  0.350491  0.396651  1
  Ni  Ni207  1  0.414180  0.268882  0.413312  1
  Ni  Ni208  1  0.580901  0.768884  0.413372  1
  Ni  Ni209  1  0.781474  0.432381  0.380101  1
  Ni  Ni210  1  0.931231  0.350445  0.396678  1
  Ni  Ni211  1  0.080901  0.268884  0.413372  1
  Ni  Ni212  1  0.281474  0.932381  0.380101  1
  Ni  Ni213  1  0.597919  0.350430  0.396729  1
  Ni  Ni214  1  0.747517  0.268945  0.413358  1
  Ni  Ni215  1  0.948135  0.932329  0.380207  1
  Ni  Ni216  1  0.615016  0.932286  0.380072  1
  Ni  Ni217  1  0.380189  0.105530  0.446634  1
  Ni  Ni218  1  0.046852  0.105542  0.446694  1
  Ni  Ni219  1  0.196516  0.023821  0.463355  1
  Ni  Ni220  1  0.397207  0.687181  0.429990  1
  Ni  Ni221  1  0.713481  0.105553  0.446666  1
  Ni  Ni222  1  0.863190  0.023827  0.463350  1
  Ni  Ni223  1  0.063803  0.687154  0.429943  1
  Ni  Ni224  1  0.213481  0.605553  0.446666  1
  Ni  Ni225  1  0.363190  0.523827  0.463350  1
  Ni  Ni226  1  0.529836  0.023797  0.463300  1
  Ni  Ni227  1  0.730591  0.687171  0.429978  1
  Ni  Ni228  1  0.880189  0.605530  0.446634  1
  Ni  Ni229  1  0.029836  0.523797  0.463300  1
  Ni  Ni230  1  0.230591  0.187171  0.429978  1
  Ni  Ni231  1  0.546852  0.605542  0.446694  1
  Ni  Ni232  1  0.696516  0.523821  0.463355  1
  Ni  Ni233  1  0.897207  0.187181  0.429990  1
  Ni  Ni234  1  0.563803  0.187154  0.429943  1
  Ni  Ni235  1  0.329206  0.360430  0.496644  1
  Ni  Ni236  1  0.995794  0.360445  0.496670  1
  Ni  Ni237  1  0.145464  0.278761  0.513330  1
  Ni  Ni238  1  0.346148  0.942147  0.480012  1
  Ni  Ni239  1  0.662524  0.360425  0.496656  1
  Ni  Ni240  1  0.812178  0.278742  0.513321  1
  Ni  Ni241  1  0.012870  0.942123  0.480020  1
  Ni  Ni242  1  0.162524  0.860425  0.496656  1
  Ni  Ni243  1  0.312178  0.778742  0.513321  1
  Ni  Ni244  1  0.478872  0.278704  0.513283  1
  Ni  Ni245  1  0.679522  0.942127  0.479989  1
  Ni  Ni246  1  0.829206  0.860430  0.496644  1
  Ni  Ni247  1  0.978872  0.778704  0.513283  1
  Ni  Ni248  1  0.179522  0.442127  0.479989  1
  Ni  Ni249  1  0.495794  0.860445  0.496670  1
  Ni  Ni250  1  0.645464  0.778761  0.513330  1
  Ni  Ni251  1  0.846148  0.442147  0.480012  1
  Ni  Ni252  1  0.512870  0.442123  0.480020  1
  Ni  Ni253  1  0.278247  0.615316  0.546632  1
  Ni  Ni254  1  0.944836  0.615313  0.546619  1
  Ni  Ni255  1  0.094522  0.533642  0.563264  1
  Ni  Ni256  1  0.295141  0.197083  0.529986  1
  Ni  Ni257  1  0.611433  0.615384  0.546728  1
  Ni  Ni258  1  0.761000  0.533806  0.563400  1
  Ni  Ni259  1  0.961820  0.197070  0.530037  1
  Ni  Ni260  1  0.111433  0.115384  0.546728  1
  Ni  Ni261  1  0.261000  0.033806  0.563400  1
  Ni  Ni262  1  0.427883  0.533700  0.563351  1
  Ni  Ni263  1  0.628539  0.197018  0.529942  1
  Ni  Ni264  1  0.778247  0.115316  0.546632  1
  Ni  Ni265  1  0.927883  0.033700  0.563351  1
  Ni  Ni266  1  0.128539  0.697018  0.529942  1
  Ni  Ni267  1  0.444836  0.115313  0.546619  1
  Ni  Ni268  1  0.594522  0.033642  0.563264  1
  Ni  Ni269  1  0.795141  0.697083  0.529986  1
  Ni  Ni270  1  0.461820  0.697070  0.530037  1
  Ni  Ni271  1  0.227011  0.870494  0.596643  1
  Ni  Ni272  1  0.893946  0.870338  0.596593  1
  Ni  Ni273  1  0.043586  0.788369  0.613174  1
  Ni  Ni274  1  0.244286  0.451935  0.579890  1
  Ni  Ni275  1  0.560301  0.870355  0.596621  1
  Ni  Ni276  1  0.710212  0.788517  0.613160  1
  Ni  Ni277  1  0.910636  0.452040  0.579983  1
  Ni  Ni278  1  0.060301  0.370355  0.596621  1
  Ni  Ni279  1  0.210212  0.288517  0.613160  1
  Ni  Ni280  1  0.376743  0.788587  0.613321  1
  Ni  Ni281  1  0.577492  0.451964  0.579971  1
  Ni  Ni282  1  0.727011  0.370494  0.596643  1
  Ni  Ni283  1  0.876743  0.288587  0.613321  1
  Ni  Ni284  1  0.077492  0.951964  0.579971  1
  Ni  Ni285  1  0.393946  0.370338  0.596593  1
  Ni  Ni286  1  0.543586  0.288369  0.613174  1
  Ni  Ni287  1  0.744286  0.951935  0.579890  1
  Ni  Ni288  1  0.410636  0.952040  0.579983  1
  Ni  Ni289  1  0.175963  0.125157  0.646887  1
  Ni  Ni290  1  0.843113  0.124899  0.646673  1
  Ni  Ni291  1  0.991883  0.044267  0.663660  1
  Ni  Ni292  1  0.192995  0.707039  0.629916  1
  Ni  Ni293  1  0.510017  0.124658  0.646577  1
  Ni  Ni294  1  0.659009  0.043590  0.663301  1
  Ni  Ni295  1  0.860112  0.706906  0.629892  1
  Ni  Ni296  1  0.010017  0.624658  0.646577  1
  Ni  Ni297  1  0.159009  0.543590  0.663301  1
  Ni  Ni298  1  0.325218  0.043482  0.663575  1
  Ni  Ni299  1  0.526208  0.707109  0.630290  1
  Ni  Ni300  1  0.675963  0.625157  0.646887  1
  Ni  Ni301  1  0.825218  0.543482  0.663575  1
  Ni  Ni302  1  0.026208  0.207109  0.630290  1
  Ni  Ni303  1  0.343113  0.624899  0.646673  1
  Ni  Ni304  1  0.491883  0.544267  0.663660  1
  Ni  Ni305  1  0.692995  0.207039  0.629916  1
  Ni  Ni306  1  0.360112  0.206906  0.629892  1
  Ni  Ni307  1  0.127142  0.379514  0.696324  1
  Ni  Ni308  1  0.790734  0.379273  0.697112  1
  Ni  Ni309  1  0.940963  0.296274  0.713199  1
  Ni  Ni310  1  0.142057  0.961456  0.679803  1
  Ni  Ni311  1  0.458047  0.378668  0.697162  1
  Ni  Ni312  1  0.609522  0.297369  0.712765  1
  Ni  Ni313  1  0.809076  0.960317  0.679630  1
  Ni  Ni314  1  0.958047  0.878668  0.697162  1
  Ni  Ni315  1  0.109522  0.797369  0.712765  1
  Ni  Ni316  1  0.276718  0.297423  0.712673  1
  Ni  Ni317  1  0.475530  0.961184  0.679555  1
  Ni  Ni318  1  0.627142  0.879514  0.696324  1
  Ni  Ni319  1  0.776718  0.797423  0.712673  1
  Ni  Ni320  1  0.975530  0.461184  0.679555  1
  Ni  Ni321  1  0.290734  0.879273  0.697112  1
  Ni  Ni322  1  0.440963  0.796274  0.713199  1
  Ni  Ni323  1  0.642057  0.461456  0.679803  1
  Ni  Ni324  1  0.309076  0.460317  0.679630  1
