# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.08671100
_cell_length_b   11.08740079
_cell_length_c   47.65666350
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe189 Ni63'
_cell_volume   5828.72685979
_cell_formula_units_Z   63
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  0.114523  0.446031  0.283371  1
  Fe  Fe2  1  0.445927  0.115779  0.283408  1
  Fe  Fe3  1  0.416407  0.415844  0.306550  1
  Fe  Fe4  1  0.782781  0.784274  0.284151  1
  Fe  Fe5  1  0.748949  0.079879  0.307245  1
  Fe  Fe6  1  0.717517  0.384436  0.329502  1
  Fe  Fe7  1  0.082209  0.747562  0.307498  1
  Fe  Fe8  1  0.147296  0.154449  0.262123  1
  Fe  Fe9  1  0.383326  0.717434  0.329180  1
  Fe  Fe10  1  0.081501  0.248518  0.307128  1
  Fe  Fe11  1  0.414096  0.914431  0.306355  1
  Fe  Fe12  1  0.385575  0.218482  0.329499  1
  Fe  Fe13  1  0.749976  0.582363  0.306918  1
  Fe  Fe14  1  0.718223  0.884551  0.329437  1
  Fe  Fe15  1  0.783206  0.282587  0.284800  1
  Fe  Fe16  1  0.051341  0.550667  0.329277  1
  Fe  Fe17  1  0.116494  0.952187  0.285010  1
  Fe  Fe18  1  0.447523  0.616408  0.283909  1
  Fe  Fe19  1  0.915913  0.416795  0.307068  1
  Fe  Fe20  1  0.249879  0.084470  0.307350  1
  Fe  Fe21  1  0.217536  0.384805  0.329492  1
  Fe  Fe22  1  0.582338  0.750172  0.306938  1
  Fe  Fe23  1  0.652583  0.141822  0.262422  1
  Fe  Fe24  1  0.615512  0.446669  0.283690  1
  Fe  Fe25  1  0.987755  0.810938  0.262678  1
  Fe  Fe26  1  0.942950  0.111283  0.283599  1
  Fe  Fe27  1  0.273723  0.779728  0.283740  1
  Fe  Fe28  1  0.020607  0.354062  0.351505  1
  Fe  Fe29  1  0.354340  0.021017  0.351381  1
  Fe  Fe30  1  0.324298  0.324057  0.373735  1
  Fe  Fe31  1  0.687579  0.687797  0.351359  1
  Fe  Fe32  1  0.656989  0.990507  0.373502  1
  Fe  Fe33  1  0.626829  0.293753  0.395732  1
  Fe  Fe34  1  0.990813  0.657208  0.373628  1
  Fe  Fe35  1  0.051576  0.052387  0.329261  1
  Fe  Fe36  1  0.293818  0.626720  0.395791  1
  Fe  Fe37  1  0.990620  0.157298  0.373685  1
  Fe  Fe38  1  0.323834  0.823849  0.373619  1
  Fe  Fe39  1  0.293766  0.126981  0.395854  1
  Fe  Fe40  1  0.656870  0.491087  0.373475  1
  Fe  Fe41  1  0.626621  0.793647  0.395678  1
  Fe  Fe42  1  0.687161  0.187286  0.351290  1
  Fe  Fe43  1  0.960193  0.460255  0.395849  1
  Fe  Fe44  1  0.021329  0.854580  0.351593  1
  Fe  Fe45  1  0.354667  0.520706  0.351225  1
  Fe  Fe46  1  0.823770  0.323874  0.373628  1
  Fe  Fe47  1  0.157437  0.990868  0.373685  1
  Fe  Fe48  1  0.127007  0.293565  0.395885  1
  Fe  Fe49  1  0.490580  0.657166  0.373376  1
  Fe  Fe50  1  0.550586  0.051348  0.328768  1
  Fe  Fe51  1  0.521249  0.354586  0.351220  1
  Fe  Fe52  1  0.885166  0.718502  0.329212  1
  Fe  Fe53  1  0.854764  0.020579  0.351507  1
  Fe  Fe54  1  0.187893  0.686821  0.351417  1
  Fe  Fe55  1  0.929785  0.263254  0.418045  1
  Fe  Fe56  1  0.263330  0.929881  0.418068  1
  Fe  Fe57  1  0.233009  0.232882  0.440295  1
  Fe  Fe58  1  0.596458  0.596666  0.417961  1
  Fe  Fe59  1  0.566154  0.899454  0.440214  1
  Fe  Fe60  1  0.535889  0.202505  0.462493  1
  Fe  Fe61  1  0.899482  0.566209  0.440245  1
  Fe  Fe62  1  0.960379  0.960295  0.395926  1
  Fe  Fe63  1  0.202571  0.535804  0.462505  1
  Fe  Fe64  1  0.899455  0.066279  0.440252  1
  Fe  Fe65  1  0.233011  0.732759  0.440270  1
  Fe  Fe66  1  0.202602  0.035846  0.462496  1
  Fe  Fe67  1  0.566188  0.399601  0.440249  1
  Fe  Fe68  1  0.535856  0.702470  0.462457  1
  Fe  Fe69  1  0.596521  0.096521  0.418019  1
  Fe  Fe70  1  0.869061  0.369240  0.462447  1
  Fe  Fe71  1  0.930023  0.763164  0.418064  1
  Fe  Fe72  1  0.263400  0.429865  0.418113  1
  Fe  Fe73  1  0.732731  0.232947  0.440225  1
  Fe  Fe74  1  0.066319  0.899525  0.440283  1
  Fe  Fe75  1  0.035817  0.202566  0.462481  1
  Fe  Fe76  1  0.399620  0.566156  0.440269  1
  Fe  Fe77  1  0.460191  0.960137  0.395780  1
  Fe  Fe78  1  0.430083  0.263233  0.418075  1
  Fe  Fe79  1  0.793522  0.626928  0.395799  1
  Fe  Fe80  1  0.763087  0.929907  0.418010  1
  Fe  Fe81  1  0.096674  0.596499  0.418077  1
  Fe  Fe82  1  0.838734  0.172201  0.484676  1
  Fe  Fe83  1  0.172204  0.838801  0.484690  1
  Fe  Fe84  1  0.141789  0.141830  0.506899  1
  Fe  Fe85  1  0.505548  0.505504  0.484721  1
  Fe  Fe86  1  0.475194  0.808380  0.506911  1
  Fe  Fe87  1  0.444858  0.111378  0.529135  1
  Fe  Fe88  1  0.808418  0.475189  0.506902  1
  Fe  Fe89  1  0.869159  0.869193  0.462444  1
  Fe  Fe90  1  0.111357  0.444789  0.529103  1
  Fe  Fe91  1  0.808449  0.975129  0.506882  1
  Fe  Fe92  1  0.141774  0.641796  0.506903  1
  Fe  Fe93  1  0.111412  0.944821  0.529101  1
  Fe  Fe94  1  0.475224  0.308469  0.506946  1
  Fe  Fe95  1  0.444845  0.611426  0.529168  1
  Fe  Fe96  1  0.505545  0.005407  0.484692  1
  Fe  Fe97  1  0.778075  0.278147  0.529143  1
  Fe  Fe98  1  0.838774  0.672194  0.484656  1
  Fe  Fe99  1  0.172175  0.338826  0.484702  1
  Fe  Fe100  1  0.641815  0.141776  0.506918  1
  Fe  Fe101  1  0.975114  0.808491  0.506880  1
  Fe  Fe102  1  0.944703  0.111503  0.529114  1
  Fe  Fe103  1  0.308510  0.475132  0.506936  1
  Fe  Fe104  1  0.369260  0.869081  0.462468  1
  Fe  Fe105  1  0.338919  0.172125  0.484711  1
  Fe  Fe106  1  0.702442  0.535914  0.462447  1
  Fe  Fe107  1  0.672161  0.838774  0.484662  1
  Fe  Fe108  1  0.005429  0.505509  0.484680  1
  Fe  Fe109  1  0.747781  0.081029  0.551334  1
  Fe  Fe110  1  0.080990  0.747794  0.551315  1
  Fe  Fe111  1  0.050658  0.050826  0.573543  1
  Fe  Fe112  1  0.414509  0.414476  0.551368  1
  Fe  Fe113  1  0.383945  0.717393  0.573557  1
  Fe  Fe114  1  0.353755  0.020224  0.595668  1
  Fe  Fe115  1  0.717474  0.384118  0.573641  1
  Fe  Fe116  1  0.778159  0.778098  0.529116  1
  Fe  Fe117  1  0.020146  0.353625  0.595740  1
  Fe  Fe118  1  0.717591  0.883890  0.573587  1
  Fe  Fe119  1  0.050543  0.550770  0.573522  1
  Fe  Fe120  1  0.020265  0.853862  0.595753  1
  Fe  Fe121  1  0.384121  0.217412  0.573549  1
  Fe  Fe122  1  0.353629  0.520479  0.595722  1
  Fe  Fe123  1  0.414463  0.914278  0.551320  1
  Fe  Fe124  1  0.687085  0.186972  0.595773  1
  Fe  Fe125  1  0.747836  0.581149  0.551390  1
  Fe  Fe126  1  0.080967  0.247786  0.551306  1
  Fe  Fe127  1  0.550876  0.050513  0.573537  1
  Fe  Fe128  1  0.884068  0.717484  0.573591  1
  Fe  Fe129  1  0.853734  0.020294  0.595753  1
  Fe  Fe130  1  0.217330  0.384043  0.573500  1
  Fe  Fe131  1  0.278088  0.778083  0.529116  1
  Fe  Fe132  1  0.247732  0.081092  0.551310  1
  Fe  Fe133  1  0.611530  0.444827  0.529175  1
  Fe  Fe134  1  0.581237  0.747642  0.551373  1
  Fe  Fe135  1  0.914307  0.414468  0.551339  1
  Fe  Fe136  1  0.656743  0.989552  0.618004  1
  Fe  Fe137  1  0.989753  0.656751  0.618024  1
  Fe  Fe138  1  0.959772  0.960077  0.640222  1
  Fe  Fe139  1  0.323379  0.323602  0.617944  1
  Fe  Fe140  1  0.292504  0.626295  0.640027  1
  Fe  Fe141  1  0.262417  0.929387  0.662468  1
  Fe  Fe142  1  0.626506  0.293255  0.640198  1
  Fe  Fe143  1  0.687348  0.687018  0.595927  1
  Fe  Fe144  1  0.928623  0.262209  0.662519  1
  Fe  Fe145  1  0.626784  0.792756  0.640356  1
  Fe  Fe146  1  0.959509  0.458921  0.640253  1
  Fe  Fe147  1  0.929297  0.763718  0.662770  1
  Fe  Fe148  1  0.293511  0.126279  0.639975  1
  Fe  Fe149  1  0.262364  0.429613  0.662484  1
  Fe  Fe150  1  0.322994  0.823289  0.617973  1
  Fe  Fe151  1  0.595436  0.095666  0.662299  1
  Fe  Fe152  1  0.657226  0.490068  0.618174  1
  Fe  Fe153  1  0.989943  0.156754  0.618040  1
  Fe  Fe154  1  0.459494  0.958914  0.640015  1
  Fe  Fe155  1  0.793564  0.626434  0.640482  1
  Fe  Fe156  1  0.762260  0.928903  0.662740  1
  Fe  Fe157  1  0.126305  0.293052  0.640131  1
  Fe  Fe158  1  0.186648  0.687137  0.595755  1
  Fe  Fe159  1  0.156713  0.990186  0.617957  1
  Fe  Fe160  1  0.520491  0.353853  0.595827  1
  Fe  Fe161  1  0.489981  0.656973  0.617978  1
  Fe  Fe162  1  0.823188  0.323413  0.618145  1
  Fe  Fe163  1  0.564395  0.897697  0.684393  1
  Fe  Fe164  1  0.900028  0.564554  0.684581  1
  Fe  Fe165  1  0.870152  0.871025  0.708491  1
  Fe  Fe166  1  0.234584  0.232600  0.684261  1
  Fe  Fe167  1  0.196519  0.532987  0.707509  1
  Fe  Fe168  1  0.164173  0.834184  0.729886  1
  Fe  Fe169  1  0.531272  0.200781  0.707244  1
  Fe  Fe170  1  0.596797  0.597083  0.662221  1
  Fe  Fe171  1  0.831811  0.163043  0.729865  1
  Fe  Fe172  1  0.532095  0.700229  0.707389  1
  Fe  Fe173  1  0.868565  0.369458  0.708116  1
  Fe  Fe174  1  0.839320  0.664302  0.729658  1
  Fe  Fe175  1  0.205865  0.038863  0.708158  1
  Fe  Fe176  1  0.171668  0.327792  0.729017  1
  Fe  Fe177  1  0.230295  0.731311  0.684243  1
  Fe  Fe178  1  0.494391  0.003556  0.729405  1
  Fe  Fe179  1  0.564322  0.399160  0.684627  1
  Fe  Fe180  1  0.897022  0.064637  0.684230  1
  Fe  Fe181  1  0.365680  0.864158  0.706683  1
  Fe  Fe182  1  0.697430  0.533632  0.707349  1
  Fe  Fe183  1  0.667973  0.835777  0.729934  1
  Fe  Fe184  1  0.031781  0.196989  0.706664  1
  Fe  Fe185  1  0.095651  0.595431  0.662009  1
  Fe  Fe186  1  0.066624  0.900485  0.684689  1
  Fe  Fe187  1  0.429712  0.263683  0.662115  1
  Fe  Fe188  1  0.398113  0.565488  0.684643  1
  Fe  Fe189  1  0.731895  0.231142  0.684525  1
  Ni  Ni190  1  0.884399  0.217365  0.329203  1
  Ni  Ni191  1  0.217871  0.884688  0.329275  1
  Ni  Ni192  1  0.281702  0.282726  0.285345  1
  Ni  Ni193  1  0.647482  0.647480  0.263617  1
  Ni  Ni194  1  0.613239  0.946256  0.284603  1
  Ni  Ni195  1  0.582953  0.248238  0.306451  1
  Ni  Ni196  1  0.946171  0.615102  0.284690  1
  Ni  Ni197  1  0.917769  0.915603  0.306993  1
  Ni  Ni198  1  0.248548  0.580939  0.306592  1
  Ni  Ni199  1  0.793368  0.126886  0.395795  1
  Ni  Ni200  1  0.127135  0.793461  0.395870  1
  Ni  Ni201  1  0.187766  0.188042  0.351451  1
  Ni  Ni202  1  0.551788  0.551941  0.328514  1
  Ni  Ni203  1  0.520088  0.854611  0.351127  1
  Ni  Ni204  1  0.490814  0.157136  0.373609  1
  Ni  Ni205  1  0.854335  0.521081  0.351397  1
  Ni  Ni206  1  0.824139  0.823824  0.373699  1
  Ni  Ni207  1  0.157390  0.490431  0.373720  1
  Ni  Ni208  1  0.702459  0.035839  0.462453  1
  Ni  Ni209  1  0.035889  0.702491  0.462476  1
  Ni  Ni210  1  0.096667  0.096632  0.418097  1
  Ni  Ni211  1  0.460321  0.460317  0.395789  1
  Ni  Ni212  1  0.429921  0.763080  0.417988  1
  Ni  Ni213  1  0.399627  0.066160  0.440267  1
  Ni  Ni214  1  0.763029  0.430009  0.417991  1
  Ni  Ni215  1  0.732776  0.732907  0.440194  1
  Ni  Ni216  1  0.066212  0.399529  0.440274  1
  Ni  Ni217  1  0.611530  0.944648  0.529123  1
  Ni  Ni218  1  0.944703  0.611497  0.529108  1
  Ni  Ni219  1  0.005465  0.005533  0.484679  1
  Ni  Ni220  1  0.369293  0.369170  0.462520  1
  Ni  Ni221  1  0.338887  0.672101  0.484710  1
  Ni  Ni222  1  0.308521  0.975086  0.506904  1
  Ni  Ni223  1  0.672136  0.338872  0.484698  1
  Ni  Ni224  1  0.641843  0.641796  0.506918  1
  Ni  Ni225  1  0.975032  0.308514  0.506890  1
  Ni  Ni226  1  0.520505  0.853452  0.595753  1
  Ni  Ni227  1  0.853765  0.520414  0.595845  1
  Ni  Ni228  1  0.914425  0.914441  0.551312  1
  Ni  Ni229  1  0.278149  0.278107  0.529122  1
  Ni  Ni230  1  0.247641  0.581118  0.551332  1
  Ni  Ni231  1  0.217277  0.884079  0.573524  1
  Ni  Ni232  1  0.581152  0.247760  0.551376  1
  Ni  Ni233  1  0.550932  0.550790  0.573642  1
  Ni  Ni234  1  0.883972  0.217426  0.573589  1
  Ni  Ni235  1  0.428655  0.761893  0.662476  1
  Ni  Ni236  1  0.762659  0.429020  0.663015  1
  Ni  Ni237  1  0.823600  0.823465  0.618137  1
  Ni  Ni238  1  0.186983  0.187129  0.595714  1
  Ni  Ni239  1  0.156502  0.489769  0.617862  1
  Ni  Ni240  1  0.125653  0.793529  0.640211  1
  Ni  Ni241  1  0.490244  0.156532  0.617901  1
  Ni  Ni242  1  0.459627  0.460399  0.640172  1
  Ni  Ni243  1  0.792614  0.125904  0.640144  1
  Ni  Ni244  1  0.331121  0.668968  0.728374  1
  Ni  Ni245  1  0.669596  0.332880  0.728347  1
  Ni  Ni246  1  0.733424  0.732596  0.685362  1
  Ni  Ni247  1  0.097215  0.096413  0.662441  1
  Ni  Ni248  1  0.065502  0.396554  0.684771  1
  Ni  Ni249  1  0.033842  0.700047  0.706683  1
  Ni  Ni250  1  0.398947  0.064781  0.684238  1
  Ni  Ni251  1  0.367447  0.370019  0.707074  1
  Ni  Ni252  1  0.695959  0.033524  0.707017  1
