# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.97947403
_cell_length_b   10.97331831
_cell_length_c   47.46858942
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe189 Ni63'
_cell_volume   5690.40839889
_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  0.084808  0.443661  0.291617  1
  Fe  Fe2  1  0.423456  0.114793  0.292583  1
  Fe  Fe3  1  0.402530  0.410007  0.318350  1
  Fe  Fe4  1  0.755525  0.781643  0.292672  1
  Fe  Fe5  1  0.736777  0.078155  0.317797  1
  Fe  Fe6  1  0.834650  0.460278  0.270427  1
  Fe  Fe7  1  0.069405  0.744438  0.318487  1
  Fe  Fe8  1  0.173132  0.124374  0.269424  1
  Fe  Fe9  1  0.503774  0.793190  0.269581  1
  Fe  Fe10  1  0.062144  0.240239  0.314462  1
  Fe  Fe11  1  0.401549  0.904920  0.317719  1
  Fe  Fe12  1  0.456567  0.321246  0.272495  1
  Fe  Fe13  1  0.733607  0.572322  0.317919  1
  Fe  Fe14  1  0.788248  0.986717  0.272174  1
  Fe  Fe15  1  0.809423  0.247659  0.291221  1
  Fe  Fe16  1  0.122634  0.653613  0.272980  1
  Fe  Fe17  1  0.135520  0.911263  0.292282  1
  Fe  Fe18  1  0.466760  0.578916  0.292485  1
  Fe  Fe19  1  0.897203  0.406962  0.317993  1
  Fe  Fe20  1  0.231986  0.071512  0.316608  1
  Fe  Fe21  1  0.290966  0.488370  0.272612  1
  Fe  Fe22  1  0.565822  0.736504  0.316857  1
  Fe  Fe23  1  0.626903  0.157389  0.272680  1
  Fe  Fe24  1  0.635602  0.411505  0.291937  1
  Fe  Fe25  1  0.958213  0.821694  0.272365  1
  Fe  Fe26  1  0.969191  0.074079  0.290991  1
  Fe  Fe27  1  0.302353  0.744979  0.291676  1
  Fe  Fe28  1  0.004693  0.344917  0.362053  1
  Fe  Fe29  1  0.337783  0.012959  0.362131  1
  Fe  Fe30  1  0.306605  0.312108  0.384092  1
  Fe  Fe31  1  0.670560  0.679186  0.362331  1
  Fe  Fe32  1  0.640672  0.979371  0.384412  1
  Fe  Fe33  1  0.707384  0.367718  0.339524  1
  Fe  Fe34  1  0.974385  0.646878  0.384466  1
  Fe  Fe35  1  0.040708  0.034471  0.338939  1
  Fe  Fe36  1  0.374047  0.700945  0.339355  1
  Fe  Fe37  1  0.976928  0.143103  0.384354  1
  Fe  Fe38  1  0.310341  0.810955  0.384556  1
  Fe  Fe39  1  0.366210  0.210148  0.339354  1
  Fe  Fe40  1  0.643747  0.477267  0.384573  1
  Fe  Fe41  1  0.697997  0.877388  0.339234  1
  Fe  Fe42  1  0.674172  0.175891  0.362621  1
  Fe  Fe43  1  0.032542  0.544547  0.339460  1
  Fe  Fe44  1  0.006855  0.843454  0.362791  1
  Fe  Fe45  1  0.339227  0.508702  0.362683  1
  Fe  Fe46  1  0.810374  0.311122  0.384444  1
  Fe  Fe47  1  0.143185  0.978211  0.384408  1
  Fe  Fe48  1  0.197235  0.377481  0.339847  1
  Fe  Fe49  1  0.475890  0.644258  0.384535  1
  Fe  Fe50  1  0.533285  0.045562  0.340306  1
  Fe  Fe51  1  0.506749  0.342066  0.362615  1
  Fe  Fe52  1  0.865597  0.712403  0.340484  1
  Fe  Fe53  1  0.839669  0.008646  0.362325  1
  Fe  Fe54  1  0.173643  0.676195  0.362593  1
  Fe  Fe55  1  0.913771  0.250826  0.428808  1
  Fe  Fe56  1  0.247104  0.918059  0.428917  1
  Fe  Fe57  1  0.215883  0.220620  0.450999  1
  Fe  Fe58  1  0.580260  0.584230  0.428907  1
  Fe  Fe59  1  0.549242  0.887525  0.451158  1
  Fe  Fe60  1  0.612604  0.280780  0.406952  1
  Fe  Fe61  1  0.882867  0.554205  0.451120  1
  Fe  Fe62  1  0.945285  0.947465  0.406971  1
  Fe  Fe63  1  0.278532  0.614176  0.406974  1
  Fe  Fe64  1  0.883330  0.053391  0.451244  1
  Fe  Fe65  1  0.216809  0.720307  0.451286  1
  Fe  Fe66  1  0.275897  0.116495  0.406497  1
  Fe  Fe67  1  0.550307  0.386656  0.451224  1
  Fe  Fe68  1  0.609259  0.782952  0.406767  1
  Fe  Fe69  1  0.580850  0.084100  0.428959  1
  Fe  Fe70  1  0.943310  0.449654  0.406668  1
  Fe  Fe71  1  0.914048  0.750911  0.428986  1
  Fe  Fe72  1  0.247024  0.416983  0.428730  1
  Fe  Fe73  1  0.717095  0.219985  0.451240  1
  Fe  Fe74  1  0.050174  0.886827  0.451274  1
  Fe  Fe75  1  0.109629  0.282182  0.406387  1
  Fe  Fe76  1  0.383394  0.553130  0.451194  1
  Fe  Fe77  1  0.443094  0.949790  0.406620  1
  Fe  Fe78  1  0.413722  0.250853  0.428887  1
  Fe  Fe79  1  0.776596  0.616468  0.406719  1
  Fe  Fe80  1  0.746960  0.917566  0.429057  1
  Fe  Fe81  1  0.080569  0.584410  0.428965  1
  Fe  Fe82  1  0.821454  0.159388  0.495648  1
  Fe  Fe83  1  0.154824  0.826254  0.495650  1
  Fe  Fe84  1  0.124220  0.128511  0.517677  1
  Fe  Fe85  1  0.488186  0.492580  0.495631  1
  Fe  Fe86  1  0.457752  0.795175  0.517781  1
  Fe  Fe87  1  0.519788  0.189300  0.473403  1
  Fe  Fe88  1  0.791210  0.461864  0.517790  1
  Fe  Fe89  1  0.852878  0.855921  0.473425  1
  Fe  Fe90  1  0.186249  0.522467  0.473301  1
  Fe  Fe91  1  0.791570  0.961542  0.517913  1
  Fe  Fe92  1  0.124789  0.628411  0.517788  1
  Fe  Fe93  1  0.185392  0.023482  0.473334  1
  Fe  Fe94  1  0.458406  0.294870  0.517863  1
  Fe  Fe95  1  0.518710  0.689948  0.473351  1
  Fe  Fe96  1  0.488942  0.992105  0.495538  1
  Fe  Fe97  1  0.852230  0.356696  0.473314  1
  Fe  Fe98  1  0.822234  0.658688  0.495516  1
  Fe  Fe99  1  0.155325  0.325190  0.495381  1
  Fe  Fe100  1  0.625157  0.128097  0.517943  1
  Fe  Fe101  1  0.958207  0.794907  0.517859  1
  Fe  Fe102  1  0.018571  0.189974  0.473274  1
  Fe  Fe103  1  0.291468  0.461289  0.517763  1
  Fe  Fe104  1  0.352118  0.856894  0.473368  1
  Fe  Fe105  1  0.322170  0.158742  0.495451  1
  Fe  Fe106  1  0.685544  0.523331  0.473340  1
  Fe  Fe107  1  0.655453  0.825365  0.495549  1
  Fe  Fe108  1  0.988818  0.492051  0.495440  1
  Fe  Fe109  1  0.729635  0.067955  0.562533  1
  Fe  Fe110  1  0.062655  0.735201  0.562376  1
  Fe  Fe111  1  0.029749  0.037479  0.584535  1
  Fe  Fe112  1  0.395895  0.401287  0.562290  1
  Fe  Fe113  1  0.363219  0.704604  0.584495  1
  Fe  Fe114  1  0.428485  0.096723  0.539798  1
  Fe  Fe115  1  0.697192  0.371173  0.584660  1
  Fe  Fe116  1  0.761724  0.763173  0.539875  1
  Fe  Fe117  1  0.094807  0.429907  0.539674  1
  Fe  Fe118  1  0.700377  0.868005  0.584257  1
  Fe  Fe119  1  0.033429  0.535061  0.584068  1
  Fe  Fe120  1  0.092482  0.932515  0.540025  1
  Fe  Fe121  1  0.366533  0.201504  0.584010  1
  Fe  Fe122  1  0.425898  0.598840  0.540065  1
  Fe  Fe123  1  0.397754  0.899450  0.562187  1
  Fe  Fe124  1  0.759450  0.265664  0.540133  1
  Fe  Fe125  1  0.731334  0.565865  0.562270  1
  Fe  Fe126  1  0.064111  0.232295  0.562090  1
  Fe  Fe127  1  0.533985  0.035566  0.584193  1
  Fe  Fe128  1  0.867479  0.701967  0.584292  1
  Fe  Fe129  1  0.925784  0.099204  0.540093  1
  Fe  Fe130  1  0.199815  0.368422  0.583902  1
  Fe  Fe131  1  0.259257  0.766169  0.540090  1
  Fe  Fe132  1  0.231227  0.065329  0.561959  1
  Fe  Fe133  1  0.592778  0.432616  0.540186  1
  Fe  Fe134  1  0.564698  0.731703  0.562073  1
  Fe  Fe135  1  0.898235  0.398491  0.562100  1
  Fe  Fe136  1  0.633790  0.972328  0.628628  1
  Fe  Fe137  1  0.967729  0.639004  0.628826  1
  Fe  Fe138  1  0.927085  0.952897  0.653388  1
  Fe  Fe139  1  0.299436  0.305277  0.628291  1
  Fe  Fe140  1  0.259590  0.620851  0.652315  1
  Fe  Fe141  1  0.340118  1.001717  0.607084  1
  Fe  Fe142  1  0.595487  0.285774  0.653031  1
  Fe  Fe143  1  0.673325  0.667947  0.607168  1
  Fe  Fe144  1  0.006693  0.334181  0.607134  1
  Fe  Fe145  1  0.625433  0.749057  0.653810  1
  Fe  Fe146  1  0.959258  0.416969  0.653719  1
  Fe  Fe147  1  0.998347  0.842988  0.607234  1
  Fe  Fe148  1  0.292446  0.083681  0.653594  1
  Fe  Fe149  1  0.330933  0.509658  0.606641  1
  Fe  Fe150  1  0.302128  0.810467  0.629059  1
  Fe  Fe151  1  0.665847  0.175976  0.607203  1
  Fe  Fe152  1  0.635791  0.476637  0.629211  1
  Fe  Fe153  1  0.968341  0.142352  0.629168  1
  Fe  Fe154  1  0.458030  0.915539  0.652915  1
  Fe  Fe155  1  0.791259  0.582045  0.653093  1
  Fe  Fe156  1  0.831116  0.008903  0.607349  1
  Fe  Fe157  1  0.123663  0.248039  0.652851  1
  Fe  Fe158  1  0.163786  0.676750  0.606970  1
  Fe  Fe159  1  0.135517  0.976078  0.629764  1
  Fe  Fe160  1  0.498215  0.342014  0.606921  1
  Fe  Fe161  1  0.468549  0.643193  0.629683  1
  Fe  Fe162  1  0.802502  0.309694  0.629870  1
  Fe  Fe163  1  0.559631  0.843473  0.700644  1
  Fe  Fe164  1  0.893046  0.512174  0.700652  1
  Fe  Fe165  1  0.812758  0.841626  0.719645  1
  Fe  Fe166  1  0.226559  0.179332  0.700499  1
  Fe  Fe167  1  0.146798  0.508509  0.720046  1
  Fe  Fe168  1  0.243878  0.888861  0.674532  1
  Fe  Fe169  1  0.479092  0.176037  0.719758  1
  Fe  Fe170  1  0.575686  0.554878  0.674635  1
  Fe  Fe171  1  0.910843  0.221958  0.674486  1
  Fe  Fe172  1  0.517154  0.635355  0.721994  1
  Fe  Fe173  1  0.860078  0.306716  0.721578  1
  Fe  Fe174  1  0.890737  0.745902  0.673873  1
  Fe  Fe175  1  0.193642  0.974384  0.721583  1
  Fe  Fe176  1  0.223338  0.411273  0.673066  1
  Fe  Fe177  1  0.194016  0.713313  0.699976  1
  Fe  Fe178  1  0.557963  0.080775  0.673458  1
  Fe  Fe179  1  0.525732  0.378291  0.699791  1
  Fe  Fe180  1  0.856993  0.047638  0.699964  1
  Fe  Fe181  1  0.360339  0.811811  0.721667  1
  Fe  Fe182  1  0.690795  0.473160  0.721967  1
  Fe  Fe183  1  0.726677  0.913354  0.673547  1
  Fe  Fe184  1  0.025671  0.139144  0.721863  1
  Fe  Fe185  1  0.062307  0.580283  0.673799  1
  Fe  Fe186  1  0.023706  0.883374  0.699654  1
  Fe  Fe187  1  0.393873  0.249169  0.673488  1
  Fe  Fe188  1  0.359494  0.542058  0.695136  1
  Fe  Fe189  1  0.689853  0.216795  0.699522  1
  Ni  Ni190  1  0.875996  0.204098  0.340041  1
  Ni  Ni191  1  0.326929  0.949602  0.271546  1
  Ni  Ni192  1  0.262024  0.283128  0.295739  1
  Ni  Ni193  1  0.658008  0.617040  0.271780  1
  Ni  Ni194  1  0.593894  0.951050  0.295720  1
  Ni  Ni195  1  0.565197  0.239515  0.318290  1
  Ni  Ni196  1  0.927104  0.617745  0.296070  1
  Ni  Ni197  1  0.897711  0.905530  0.318101  1
  Ni  Ni198  1  0.231066  0.572156  0.318207  1
  Ni  Ni199  1  0.778756  0.113928  0.406777  1
  Ni  Ni200  1  0.209358  0.871258  0.340258  1
  Ni  Ni201  1  0.169712  0.177407  0.361164  1
  Ni  Ni202  1  0.541780  0.537267  0.340375  1
  Ni  Ni203  1  0.504069  0.844083  0.362042  1
  Ni  Ni204  1  0.474450  0.146885  0.384646  1
  Ni  Ni205  1  0.837755  0.511401  0.362289  1
  Ni  Ni206  1  0.807218  0.813736  0.384718  1
  Ni  Ni207  1  0.140557  0.480094  0.384486  1
  Ni  Ni208  1  0.686198  0.022697  0.473451  1
  Ni  Ni209  1  0.112146  0.781226  0.406889  1
  Ni  Ni210  1  0.080309  0.084289  0.428931  1
  Ni  Ni211  1  0.445083  0.447165  0.406787  1
  Ni  Ni212  1  0.413612  0.751119  0.429013  1
  Ni  Ni213  1  0.382801  0.054179  0.451069  1
  Ni  Ni214  1  0.747397  0.417783  0.428971  1
  Ni  Ni215  1  0.716016  0.720654  0.451140  1
  Ni  Ni216  1  0.049443  0.387172  0.450986  1
  Ni  Ni217  1  0.594963  0.930046  0.539980  1
  Ni  Ni218  1  0.019577  0.689460  0.473400  1
  Ni  Ni219  1  0.988082  0.992746  0.495621  1
  Ni  Ni220  1  0.352832  0.355872  0.473315  1
  Ni  Ni221  1  0.321540  0.659333  0.495627  1
  Ni  Ni222  1  0.291194  0.961868  0.517687  1
  Ni  Ni223  1  0.655040  0.326055  0.495667  1
  Ni  Ni224  1  0.624521  0.628300  0.517723  1
  Ni  Ni225  1  0.957699  0.295030  0.517664  1
  Ni  Ni226  1  0.504865  0.833686  0.606295  1
  Ni  Ni227  1  0.928226  0.596875  0.539908  1
  Ni  Ni228  1  0.895771  0.901033  0.562356  1
  Ni  Ni229  1  0.261352  0.263347  0.539776  1
  Ni  Ni230  1  0.228832  0.567962  0.562132  1
  Ni  Ni231  1  0.197520  0.872006  0.584695  1
  Ni  Ni232  1  0.562763  0.234492  0.562369  1
  Ni  Ni233  1  0.530804  0.538130  0.584784  1
  Ni  Ni234  1  0.864293  0.204738  0.584800  1
  Ni  Ni235  1  0.414913  0.729029  0.675344  1
  Ni  Ni236  1  0.838709  0.500350  0.606443  1
  Ni  Ni237  1  0.803675  0.808774  0.628756  1
  Ni  Ni238  1  0.171133  0.166436  0.606212  1
  Ni  Ni239  1  0.136620  0.475845  0.628251  1
  Ni  Ni240  1  0.089646  0.780941  0.652682  1
  Ni  Ni241  1  0.470300  0.143040  0.628484  1
  Ni  Ni242  1  0.426080  0.445302  0.651029  1
  Ni  Ni243  1  0.757348  0.113347  0.652541  1
  Ni  Ni244  1  0.305287  0.621209  0.740072  1
  Ni  Ni245  1  0.749208  0.395394  0.675529  1
  Ni  Ni246  1  0.718827  0.672771  0.698410  1
  Ni  Ni247  1  0.082942  0.061436  0.675439  1
  Ni  Ni248  1  0.053238  0.340950  0.698183  1
  Ni  Ni249  1  0.992066  0.683621  0.717633  1
  Ni  Ni250  1  0.387060  0.008600  0.697909  1
  Ni  Ni251  1  0.322726  0.352668  0.717624  1
  Ni  Ni252  1  0.655512  0.016874  0.717360  1
