# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.77506043
_cell_length_b   12.76791050
_cell_length_c   46.36726810
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe216 Ni72'
_cell_volume   7196.09129883
_cell_formula_units_Z   72
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  0.838065  0.172176  0.314085  1
  Fe  Fe2  1  0.171513  0.835581  0.313497  1
  Fe  Fe3  1  0.211042  0.211572  0.295640  1
  Fe  Fe4  1  0.462644  0.129490  0.332921  1
  Fe  Fe5  1  0.795677  0.796714  0.332930  1
  Fe  Fe6  1  0.251112  0.584169  0.278260  1
  Fe  Fe7  1  0.502340  0.506149  0.313626  1
  Fe  Fe8  1  0.544954  0.879045  0.295759  1
  Fe  Fe9  1  0.877739  0.545662  0.295665  1
  Fe  Fe10  1  0.817815  0.984101  0.322985  1
  Fe  Fe11  1  0.149938  0.651517  0.323515  1
  Fe  Fe12  1  0.190900  0.023499  0.304843  1
  Fe  Fe13  1  0.564015  0.064893  0.287195  1
  Fe  Fe14  1  0.896137  0.732778  0.287152  1
  Fe  Fe15  1  0.230708  0.397726  0.286749  1
  Fe  Fe16  1  0.484919  0.316134  0.323030  1
  Fe  Fe17  1  0.524434  0.691469  0.304974  1
  Fe  Fe18  1  0.857421  0.357690  0.304952  1
  Fe  Fe19  1  0.650320  0.151568  0.322975  1
  Fe  Fe20  1  0.982537  0.818781  0.322997  1
  Fe  Fe21  1  0.023509  0.191637  0.304948  1
  Fe  Fe22  1  0.398953  0.230244  0.286894  1
  Fe  Fe23  1  0.731144  0.897914  0.287202  1
  Fe  Fe24  1  0.063290  0.566147  0.286881  1
  Fe  Fe25  1  0.317130  0.484081  0.323575  1
  Fe  Fe26  1  0.357085  0.858382  0.304948  1
  Fe  Fe27  1  0.689818  0.525048  0.304866  1
  Fe  Fe28  1  0.719853  0.053752  0.369282  1
  Fe  Fe29  1  0.052495  0.720324  0.369463  1
  Fe  Fe30  1  0.091278  0.091894  0.350317  1
  Fe  Fe31  1  0.346599  0.013980  0.387849  1
  Fe  Fe32  1  0.680084  0.680641  0.387902  1
  Fe  Fe33  1  0.130687  0.465030  0.332096  1
  Fe  Fe34  1  0.386230  0.386369  0.369503  1
  Fe  Fe35  1  0.425233  0.759283  0.350697  1
  Fe  Fe36  1  0.757789  0.425266  0.350317  1
  Fe  Fe37  1  0.699582  0.866965  0.379002  1
  Fe  Fe38  1  0.033014  0.533284  0.378787  1
  Fe  Fe39  1  0.071767  0.906001  0.359387  1
  Fe  Fe40  1  0.444449  0.945216  0.341262  1
  Fe  Fe41  1  0.777603  0.611854  0.341173  1
  Fe  Fe42  1  0.111164  0.279532  0.341094  1
  Fe  Fe43  1  0.366167  0.200054  0.378874  1
  Fe  Fe44  1  0.405341  0.573013  0.359995  1
  Fe  Fe45  1  0.738316  0.240070  0.359443  1
  Fe  Fe46  1  0.533006  0.033473  0.378984  1
  Fe  Fe47  1  0.866059  0.700218  0.378947  1
  Fe  Fe48  1  0.906058  0.072357  0.359468  1
  Fe  Fe49  1  0.277700  0.111588  0.341130  1
  Fe  Fe50  1  0.611361  0.778554  0.341294  1
  Fe  Fe51  1  0.945352  0.445274  0.341110  1
  Fe  Fe52  1  0.199332  0.366967  0.378725  1
  Fe  Fe53  1  0.238861  0.739344  0.359898  1
  Fe  Fe54  1  0.572164  0.405720  0.359448  1
  Fe  Fe55  1  0.601339  0.935261  0.425134  1
  Fe  Fe56  1  0.934647  0.601827  0.425011  1
  Fe  Fe57  1  0.974164  0.974890  0.406229  1
  Fe  Fe58  1  0.228916  0.896219  0.443459  1
  Fe  Fe59  1  0.562325  0.562811  0.443476  1
  Fe  Fe60  1  0.013583  0.347546  0.387900  1
  Fe  Fe61  1  0.267949  0.268562  0.424984  1
  Fe  Fe62  1  0.307478  0.641441  0.406451  1
  Fe  Fe63  1  0.640945  0.308048  0.406240  1
  Fe  Fe64  1  0.581821  0.749176  0.434240  1
  Fe  Fe65  1  0.915153  0.415859  0.434158  1
  Fe  Fe66  1  0.954398  0.788586  0.415787  1
  Fe  Fe67  1  0.327128  0.827537  0.397159  1
  Fe  Fe68  1  0.660548  0.493891  0.397060  1
  Fe  Fe69  1  0.993907  0.160701  0.397099  1
  Fe  Fe70  1  0.248357  0.082562  0.434134  1
  Fe  Fe71  1  0.288014  0.454968  0.415813  1
  Fe  Fe72  1  0.621333  0.121700  0.415767  1
  Fe  Fe73  1  0.415229  0.915740  0.434226  1
  Fe  Fe74  1  0.748675  0.582260  0.434152  1
  Fe  Fe75  1  0.787847  0.955240  0.415768  1
  Fe  Fe76  1  0.159922  0.994497  0.397026  1
  Fe  Fe77  1  0.493617  0.661093  0.397195  1
  Fe  Fe78  1  0.826716  0.327857  0.397098  1
  Fe  Fe79  1  0.081999  0.249024  0.434154  1
  Fe  Fe80  1  0.121009  0.621969  0.415818  1
  Fe  Fe81  1  0.454674  0.288274  0.415780  1
  Fe  Fe82  1  0.483883  0.817737  0.480655  1
  Fe  Fe83  1  0.817245  0.484329  0.480627  1
  Fe  Fe84  1  0.856399  0.856969  0.462180  1
  Fe  Fe85  1  0.111265  0.778405  0.499212  1
  Fe  Fe86  1  0.444587  0.445065  0.499209  1
  Fe  Fe87  1  0.895629  0.229500  0.443431  1
  Fe  Fe88  1  0.150510  0.151065  0.480628  1
  Fe  Fe89  1  0.189774  0.523631  0.462173  1
  Fe  Fe90  1  0.523089  0.190225  0.462166  1
  Fe  Fe91  1  0.464260  0.631347  0.489891  1
  Fe  Fe92  1  0.797583  0.298014  0.489872  1
  Fe  Fe93  1  0.836870  0.670458  0.471472  1
  Fe  Fe94  1  0.209224  0.710038  0.452780  1
  Fe  Fe95  1  0.542687  0.376475  0.452761  1
  Fe  Fe96  1  0.875945  0.043329  0.452705  1
  Fe  Fe97  1  0.130889  0.964688  0.489876  1
  Fe  Fe98  1  0.170160  0.337239  0.471451  1
  Fe  Fe99  1  0.503474  0.003938  0.471479  1
  Fe  Fe100  1  0.297503  0.798096  0.489892  1
  Fe  Fe101  1  0.630864  0.464699  0.489873  1
  Fe  Fe102  1  0.670075  0.837345  0.471495  1
  Fe  Fe103  1  0.042629  0.876551  0.452753  1
  Fe  Fe104  1  0.376143  0.543118  0.452786  1
  Fe  Fe105  1  0.709458  0.209797  0.452706  1
  Fe  Fe106  1  0.964221  0.131396  0.489873  1
  Fe  Fe107  1  0.003427  0.503977  0.471452  1
  Fe  Fe108  1  0.336607  0.170709  0.471456  1
  Fe  Fe109  1  0.366190  0.699948  0.536248  1
  Fe  Fe110  1  0.699469  0.366602  0.536247  1
  Fe  Fe111  1  0.738704  0.739095  0.517800  1
  Fe  Fe112  1  0.993631  0.660623  0.554981  1
  Fe  Fe113  1  0.326888  0.327358  0.554995  1
  Fe  Fe114  1  0.778010  0.111816  0.499189  1
  Fe  Fe115  1  0.032877  0.033252  0.536262  1
  Fe  Fe116  1  0.072042  0.405803  0.517830  1
  Fe  Fe117  1  0.405298  0.072493  0.517796  1
  Fe  Fe118  1  0.346550  0.513638  0.545687  1
  Fe  Fe119  1  0.679902  0.180305  0.545602  1
  Fe  Fe120  1  0.719104  0.552878  0.526973  1
  Fe  Fe121  1  0.091696  0.592142  0.508562  1
  Fe  Fe122  1  0.424965  0.258834  0.508541  1
  Fe  Fe123  1  0.758334  0.925516  0.508540  1
  Fe  Fe124  1  0.013323  0.846808  0.545657  1
  Fe  Fe125  1  0.052419  0.219671  0.527013  1
  Fe  Fe126  1  0.385702  0.886351  0.526966  1
  Fe  Fe127  1  0.179915  0.680280  0.545683  1
  Fe  Fe128  1  0.513029  0.347072  0.545662  1
  Fe  Fe129  1  0.552553  0.719495  0.526966  1
  Fe  Fe130  1  0.925043  0.758771  0.508545  1
  Fe  Fe131  1  0.258365  0.425478  0.508561  1
  Fe  Fe132  1  0.591698  0.092131  0.508537  1
  Fe  Fe133  1  0.846569  0.013662  0.545602  1
  Fe  Fe134  1  0.885930  0.386154  0.526997  1
  Fe  Fe135  1  0.219119  0.052876  0.526988  1
  Fe  Fe136  1  0.248317  0.581984  0.592234  1
  Fe  Fe137  1  0.581637  0.248803  0.592022  1
  Fe  Fe138  1  0.621209  0.621532  0.573351  1
  Fe  Fe139  1  0.875825  0.542789  0.610574  1
  Fe  Fe140  1  0.209185  0.209577  0.610629  1
  Fe  Fe141  1  0.660250  0.993996  0.554940  1
  Fe  Fe142  1  0.915149  0.915378  0.592019  1
  Fe  Fe143  1  0.954626  0.288303  0.573498  1
  Fe  Fe144  1  0.287816  0.954906  0.573378  1
  Fe  Fe145  1  0.228676  0.396291  0.601448  1
  Fe  Fe146  1  0.562100  0.062700  0.601326  1
  Fe  Fe147  1  0.601170  0.435207  0.582609  1
  Fe  Fe148  1  0.974183  0.474269  0.564324  1
  Fe  Fe149  1  0.307383  0.141027  0.564245  1
  Fe  Fe150  1  0.640793  0.807670  0.564242  1
  Fe  Fe151  1  0.895373  0.729291  0.601278  1
  Fe  Fe152  1  0.934785  0.101787  0.582596  1
  Fe  Fe153  1  0.268124  0.768276  0.582634  1
  Fe  Fe154  1  0.062562  0.562369  0.601415  1
  Fe  Fe155  1  0.395612  0.229066  0.601307  1
  Fe  Fe156  1  0.434611  0.601783  0.582626  1
  Fe  Fe157  1  0.807289  0.641100  0.564229  1
  Fe  Fe158  1  0.140592  0.307885  0.564339  1
  Fe  Fe159  1  0.473917  0.974533  0.564245  1
  Fe  Fe160  1  0.729057  0.895768  0.601330  1
  Fe  Fe161  1  0.768056  0.268459  0.582588  1
  Fe  Fe162  1  0.101542  0.934900  0.582622  1
  Fe  Fe163  1  0.131367  0.465045  0.648218  1
  Fe  Fe164  1  0.463959  0.130822  0.647809  1
  Fe  Fe165  1  0.502865  0.503482  0.628982  1
  Fe  Fe166  1  0.758183  0.425593  0.666296  1
  Fe  Fe167  1  0.092215  0.092150  0.666281  1
  Fe  Fe168  1  0.542660  0.876320  0.610597  1
  Fe  Fe169  1  0.797180  0.797578  0.647805  1
  Fe  Fe170  1  0.836883  0.170488  0.628805  1
  Fe  Fe171  1  0.169987  0.836580  0.628965  1
  Fe  Fe172  1  0.111772  0.277837  0.657378  1
  Fe  Fe173  1  0.444943  0.944884  0.657186  1
  Fe  Fe174  1  0.483914  0.317072  0.638603  1
  Fe  Fe175  1  0.856223  0.357076  0.619692  1
  Fe  Fe176  1  0.189580  0.023464  0.619675  1
  Fe  Fe177  1  0.522983  0.689985  0.619450  1
  Fe  Fe178  1  0.777970  0.610646  0.657220  1
  Fe  Fe179  1  0.817136  0.984394  0.638579  1
  Fe  Fe180  1  0.150760  0.650524  0.639056  1
  Fe  Fe181  1  0.943900  0.445352  0.657352  1
  Fe  Fe182  1  0.277213  0.111708  0.657261  1
  Fe  Fe183  1  0.316969  0.484421  0.639146  1
  Fe  Fe184  1  0.689858  0.523088  0.619594  1
  Fe  Fe185  1  0.023475  0.189935  0.619710  1
  Fe  Fe186  1  0.356333  0.856646  0.619507  1
  Fe  Fe187  1  0.611301  0.778509  0.657183  1
  Fe  Fe188  1  0.650767  0.150687  0.638543  1
  Fe  Fe189  1  0.983320  0.817583  0.638545  1
  Fe  Fe190  1  0.011968  0.345729  0.702792  1
  Fe  Fe191  1  0.345018  0.011564  0.702722  1
  Fe  Fe192  1  0.387714  0.384432  0.684980  1
  Fe  Fe193  1  0.639057  0.304881  0.720277  1
  Fe  Fe194  1  0.971312  0.971308  0.720660  1
  Fe  Fe195  1  0.426903  0.760236  0.665481  1
  Fe  Fe196  1  0.677483  0.678189  0.702705  1
  Fe  Fe197  1  0.719552  0.052941  0.685476  1
  Fe  Fe198  1  0.050101  0.720562  0.684872  1
  Fe  Fe199  1  0.992621  0.159144  0.711721  1
  Fe  Fe200  1  0.325982  0.823938  0.711549  1
  Fe  Fe201  1  0.365072  0.199004  0.693473  1
  Fe  Fe202  1  0.739222  0.239164  0.674989  1
  Fe  Fe203  1  0.072328  0.905768  0.674978  1
  Fe  Fe204  1  0.404732  0.573086  0.675443  1
  Fe  Fe205  1  0.657169  0.492709  0.711545  1
  Fe  Fe206  1  0.697860  0.865775  0.693568  1
  Fe  Fe207  1  0.031490  0.533071  0.693589  1
  Fe  Fe208  1  0.825120  0.326152  0.711717  1
  Fe  Fe209  1  0.159386  0.991876  0.711688  1
  Fe  Fe210  1  0.199827  0.365455  0.693600  1
  Fe  Fe211  1  0.571800  0.405902  0.674963  1
  Fe  Fe212  1  0.905901  0.072648  0.675066  1
  Fe  Fe213  1  0.240063  0.737979  0.675430  1
  Fe  Fe214  1  0.491046  0.659215  0.711292  1
  Fe  Fe215  1  0.532311  0.031423  0.693567  1
  Fe  Fe216  1  0.864877  0.698436  0.693460  1
  Ni  Ni217  1  0.631412  0.965328  0.332936  1
  Ni  Ni218  1  0.964087  0.632292  0.332833  1
  Ni  Ni219  1  0.003983  0.003818  0.312796  1
  Ni  Ni220  1  0.376761  0.043975  0.294614  1
  Ni  Ni221  1  0.709909  0.710943  0.294639  1
  Ni  Ni222  1  0.043316  0.377823  0.294465  1
  Ni  Ni223  1  0.415369  0.416753  0.277439  1
  Ni  Ni224  1  0.338013  0.671642  0.313729  1
  Ni  Ni225  1  0.669440  0.338087  0.312676  1
  Ni  Ni226  1  0.513296  0.847254  0.387789  1
  Ni  Ni227  1  0.846519  0.513653  0.387579  1
  Ni  Ni228  1  0.885613  0.886504  0.369353  1
  Ni  Ni229  1  0.258175  0.925457  0.350865  1
  Ni  Ni230  1  0.591601  0.592383  0.350935  1
  Ni  Ni231  1  0.925434  0.259483  0.351035  1
  Ni  Ni232  1  0.298239  0.298171  0.332656  1
  Ni  Ni233  1  0.219014  0.553102  0.369553  1
  Ni  Ni234  1  0.552572  0.219464  0.369356  1
  Ni  Ni235  1  0.395609  0.729529  0.443558  1
  Ni  Ni236  1  0.728929  0.396125  0.443498  1
  Ni  Ni237  1  0.768163  0.768744  0.425196  1
  Ni  Ni238  1  0.140681  0.808348  0.406273  1
  Ni  Ni239  1  0.474414  0.474589  0.406302  1
  Ni  Ni240  1  0.807623  0.141561  0.406139  1
  Ni  Ni241  1  0.179689  0.180502  0.387562  1
  Ni  Ni242  1  0.101614  0.435471  0.425117  1
  Ni  Ni243  1  0.434786  0.102064  0.425157  1
  Ni  Ni244  1  0.277961  0.611771  0.499221  1
  Ni  Ni245  1  0.611279  0.278424  0.499192  1
  Ni  Ni246  1  0.650560  0.650951  0.480585  1
  Ni  Ni247  1  0.022976  0.690235  0.462147  1
  Ni  Ni248  1  0.356374  0.356830  0.462138  1
  Ni  Ni249  1  0.689745  0.023594  0.462150  1
  Ni  Ni250  1  0.062261  0.062805  0.443492  1
  Ni  Ni251  1  0.983862  0.317664  0.480579  1
  Ni  Ni252  1  0.317102  0.984401  0.480580  1
  Ni  Ni253  1  0.160318  0.494028  0.554970  1
  Ni  Ni254  1  0.493591  0.160681  0.554902  1
  Ni  Ni255  1  0.532815  0.533288  0.536264  1
  Ni  Ni256  1  0.905453  0.572438  0.517864  1
  Ni  Ni257  1  0.238670  0.239225  0.517868  1
  Ni  Ni258  1  0.572046  0.905854  0.517858  1
  Ni  Ni259  1  0.944639  0.945106  0.499195  1
  Ni  Ni260  1  0.866254  0.200005  0.536277  1
  Ni  Ni261  1  0.199538  0.866577  0.536274  1
  Ni  Ni262  1  0.042796  0.376500  0.610943  1
  Ni  Ni263  1  0.375838  0.042976  0.610723  1
  Ni  Ni264  1  0.414769  0.415514  0.592203  1
  Ni  Ni265  1  0.787730  0.454732  0.573310  1
  Ni  Ni266  1  0.121094  0.121431  0.573350  1
  Ni  Ni267  1  0.454433  0.788180  0.573268  1
  Ni  Ni268  1  0.826944  0.827352  0.554900  1
  Ni  Ni269  1  0.748428  0.082089  0.592025  1
  Ni  Ni270  1  0.081838  0.748494  0.592178  1
  Ni  Ni271  1  0.924949  0.258602  0.665785  1
  Ni  Ni272  1  0.258381  0.924485  0.665729  1
  Ni  Ni273  1  0.297694  0.297866  0.647597  1
  Ni  Ni274  1  0.670088  0.337156  0.628907  1
  Ni  Ni275  1  0.003578  0.003801  0.628918  1
  Ni  Ni276  1  0.336867  0.670393  0.629063  1
  Ni  Ni277  1  0.709303  0.709486  0.610710  1
  Ni  Ni278  1  0.631248  0.964848  0.647653  1
  Ni  Ni279  1  0.964017  0.631155  0.647537  1
  Ni  Ni280  1  0.807630  0.140755  0.721536  1
  Ni  Ni281  1  0.139580  0.807471  0.721069  1
  Ni  Ni282  1  0.179512  0.179554  0.703958  1
  Ni  Ni283  1  0.552231  0.217475  0.684754  1
  Ni  Ni284  1  0.884145  0.885553  0.684815  1
  Ni  Ni285  1  0.218944  0.553059  0.685835  1
  Ni  Ni286  1  0.591030  0.591827  0.665548  1
  Ni  Ni287  1  0.512314  0.845912  0.703812  1
  Ni  Ni288  1  0.845356  0.512902  0.703950  1
