# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.66839640
_cell_length_b   12.66733504
_cell_length_c   45.92884112
_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   7012.8532701
_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  0.838805  0.172864  0.311792  1
  Fe  Fe2  1  0.172967  0.838701  0.311792  1
  Fe  Fe3  1  0.213285  0.213197  0.293068  1
  Fe  Fe4  1  0.466074  0.132577  0.331018  1
  Fe  Fe5  1  0.799463  0.799364  0.331054  1
  Fe  Fe6  1  0.132677  0.465974  0.331019  1
  Fe  Fe7  1  0.506563  0.506462  0.312565  1
  Fe  Fe8  1  0.546414  0.879469  0.293162  1
  Fe  Fe9  1  0.879558  0.546325  0.293162  1
  Fe  Fe10  1  0.819901  0.985612  0.321408  1
  Fe  Fe11  1  0.153263  0.651865  0.321439  1
  Fe  Fe12  1  0.193060  0.025614  0.302503  1
  Fe  Fe13  1  0.566690  0.066808  0.283951  1
  Fe  Fe14  1  0.900101  0.733894  0.283968  1
  Fe  Fe15  1  0.233853  0.401192  0.283966  1
  Fe  Fe16  1  0.486475  0.319144  0.321663  1
  Fe  Fe17  1  0.526650  0.692292  0.302671  1
  Fe  Fe18  1  0.859036  0.359031  0.302495  1
  Fe  Fe19  1  0.651974  0.153156  0.321438  1
  Fe  Fe20  1  0.985721  0.819793  0.321408  1
  Fe  Fe21  1  0.025712  0.192964  0.302503  1
  Fe  Fe22  1  0.401263  0.233773  0.283964  1
  Fe  Fe23  1  0.733966  0.900029  0.283967  1
  Fe  Fe24  1  0.066884  0.566619  0.283951  1
  Fe  Fe25  1  0.319249  0.486372  0.321665  1
  Fe  Fe26  1  0.359128  0.858937  0.302495  1
  Fe  Fe27  1  0.692389  0.526553  0.302671  1
  Fe  Fe28  1  0.721438  0.054585  0.367597  1
  Fe  Fe29  1  0.054700  0.721322  0.367597  1
  Fe  Fe30  1  0.094289  0.094181  0.349067  1
  Fe  Fe31  1  0.348936  0.015595  0.385988  1
  Fe  Fe32  1  0.682498  0.682381  0.386136  1
  Fe  Fe33  1  0.015712  0.348819  0.385988  1
  Fe  Fe34  1  0.388137  0.388022  0.367731  1
  Fe  Fe35  1  0.427345  0.760395  0.348994  1
  Fe  Fe36  1  0.760504  0.427237  0.348994  1
  Fe  Fe37  1  0.701870  0.868664  0.376959  1
  Fe  Fe38  1  0.035040  0.535246  0.376927  1
  Fe  Fe39  1  0.074655  0.907704  0.358339  1
  Fe  Fe40  1  0.446905  0.946701  0.339786  1
  Fe  Fe41  1  0.780398  0.613616  0.339856  1
  Fe  Fe42  1  0.113957  0.280251  0.339757  1
  Fe  Fe43  1  0.368438  0.202128  0.376853  1
  Fe  Fe44  1  0.407793  0.574583  0.358534  1
  Fe  Fe45  1  0.740927  0.241275  0.358234  1
  Fe  Fe46  1  0.535360  0.034926  0.376926  1
  Fe  Fe47  1  0.868778  0.701755  0.376959  1
  Fe  Fe48  1  0.907816  0.074543  0.358339  1
  Fe  Fe49  1  0.280354  0.113854  0.339758  1
  Fe  Fe50  1  0.613720  0.780294  0.339856  1
  Fe  Fe51  1  0.946806  0.446801  0.339786  1
  Fe  Fe52  1  0.202244  0.368323  0.376853  1
  Fe  Fe53  1  0.241388  0.740814  0.358233  1
  Fe  Fe54  1  0.574694  0.407681  0.358533  1
  Fe  Fe55  1  0.603962  0.937150  0.423188  1
  Fe  Fe56  1  0.937277  0.603835  0.423188  1
  Fe  Fe57  1  0.976595  0.976472  0.404610  1
  Fe  Fe58  1  0.231472  0.898033  0.441601  1
  Fe  Fe59  1  0.564870  0.564738  0.441673  1
  Fe  Fe60  1  0.898165  0.231340  0.441601  1
  Fe  Fe61  1  0.270684  0.270557  0.423163  1
  Fe  Fe62  1  0.309808  0.643161  0.404669  1
  Fe  Fe63  1  0.643284  0.309685  0.404668  1
  Fe  Fe64  1  0.584425  0.750976  0.432412  1
  Fe  Fe65  1  0.917778  0.417517  0.432354  1
  Fe  Fe66  1  0.956918  0.790206  0.413896  1
  Fe  Fe67  1  0.329328  0.829408  0.395228  1
  Fe  Fe68  1  0.662808  0.496093  0.395369  1
  Fe  Fe69  1  0.996058  0.162816  0.395266  1
  Fe  Fe70  1  0.251085  0.084268  0.432372  1
  Fe  Fe71  1  0.290223  0.456839  0.413939  1
  Fe  Fe72  1  0.623639  0.123327  0.413935  1
  Fe  Fe73  1  0.417646  0.917649  0.432355  1
  Fe  Fe74  1  0.751105  0.584296  0.432411  1
  Fe  Fe75  1  0.790332  0.956793  0.413896  1
  Fe  Fe76  1  0.162937  0.995938  0.395266  1
  Fe  Fe77  1  0.496214  0.662687  0.395369  1
  Fe  Fe78  1  0.829529  0.329207  0.395228  1
  Fe  Fe79  1  0.084398  0.250956  0.432371  1
  Fe  Fe80  1  0.123452  0.623513  0.413935  1
  Fe  Fe81  1  0.456965  0.290097  0.413938  1
  Fe  Fe82  1  0.486426  0.819682  0.478682  1
  Fe  Fe83  1  0.819824  0.486285  0.478682  1
  Fe  Fe84  1  0.858996  0.858859  0.460198  1
  Fe  Fe85  1  0.113933  0.780465  0.497192  1
  Fe  Fe86  1  0.447289  0.447143  0.497206  1
  Fe  Fe87  1  0.780611  0.113787  0.497192  1
  Fe  Fe88  1  0.153141  0.153000  0.478698  1
  Fe  Fe89  1  0.192258  0.525484  0.460196  1
  Fe  Fe90  1  0.525621  0.192121  0.460196  1
  Fe  Fe91  1  0.466857  0.633451  0.487928  1
  Fe  Fe92  1  0.800218  0.300036  0.487919  1
  Fe  Fe93  1  0.839380  0.672569  0.469471  1
  Fe  Fe94  1  0.211848  0.711798  0.450915  1
  Fe  Fe95  1  0.545289  0.378407  0.450946  1
  Fe  Fe96  1  0.878584  0.045120  0.450895  1
  Fe  Fe97  1  0.133542  0.966763  0.487924  1
  Fe  Fe98  1  0.172722  0.339224  0.469453  1
  Fe  Fe99  1  0.505994  0.005912  0.469441  1
  Fe  Fe100  1  0.300180  0.800074  0.487919  1
  Fe  Fe101  1  0.633595  0.466713  0.487928  1
  Fe  Fe102  1  0.672707  0.839241  0.469471  1
  Fe  Fe103  1  0.045255  0.878450  0.450895  1
  Fe  Fe104  1  0.378542  0.545154  0.450946  1
  Fe  Fe105  1  0.711933  0.211714  0.450915  1
  Fe  Fe106  1  0.966907  0.133398  0.487924  1
  Fe  Fe107  1  0.006051  0.505855  0.469441  1
  Fe  Fe108  1  0.339363  0.172583  0.469453  1
  Fe  Fe109  1  0.368921  0.702116  0.534206  1
  Fe  Fe110  1  0.702272  0.368765  0.534206  1
  Fe  Fe111  1  0.741415  0.741264  0.515757  1
  Fe  Fe112  1  0.996381  0.662843  0.552763  1
  Fe  Fe113  1  0.329740  0.329580  0.552843  1
  Fe  Fe114  1  0.663003  0.996221  0.552763  1
  Fe  Fe115  1  0.035663  0.035508  0.534238  1
  Fe  Fe116  1  0.074771  0.407884  0.515753  1
  Fe  Fe117  1  0.408035  0.074620  0.515753  1
  Fe  Fe118  1  0.349345  0.515793  0.543483  1
  Fe  Fe119  1  0.682583  0.182508  0.543464  1
  Fe  Fe120  1  0.721872  0.554990  0.524989  1
  Fe  Fe121  1  0.094349  0.594138  0.506485  1
  Fe  Fe122  1  0.427668  0.260873  0.506499  1
  Fe  Fe123  1  0.761019  0.927518  0.506486  1
  Fe  Fe124  1  0.015983  0.849190  0.543457  1
  Fe  Fe125  1  0.055216  0.221678  0.525024  1
  Fe  Fe126  1  0.388461  0.888368  0.524984  1
  Fe  Fe127  1  0.182665  0.682425  0.543464  1
  Fe  Fe128  1  0.515951  0.349187  0.543483  1
  Fe  Fe129  1  0.555143  0.721718  0.524989  1
  Fe  Fe130  1  0.927667  0.760871  0.506486  1
  Fe  Fe131  1  0.261021  0.427520  0.506499  1
  Fe  Fe132  1  0.594287  0.094201  0.506485  1
  Fe  Fe133  1  0.849347  0.015825  0.543457  1
  Fe  Fe134  1  0.888521  0.388308  0.524983  1
  Fe  Fe135  1  0.221831  0.055063  0.525024  1
  Fe  Fe136  1  0.251352  0.584341  0.589739  1
  Fe  Fe137  1  0.584510  0.251184  0.589740  1
  Fe  Fe138  1  0.623880  0.623714  0.571260  1
  Fe  Fe139  1  0.878935  0.545290  0.608359  1
  Fe  Fe140  1  0.212494  0.212319  0.608572  1
  Fe  Fe141  1  0.545466  0.878759  0.608360  1
  Fe  Fe142  1  0.918010  0.917841  0.589720  1
  Fe  Fe143  1  0.957205  0.290323  0.571305  1
  Fe  Fe144  1  0.290489  0.957040  0.571305  1
  Fe  Fe145  1  0.231977  0.398075  0.599241  1
  Fe  Fe146  1  0.565069  0.064766  0.599068  1
  Fe  Fe147  1  0.604299  0.437495  0.580442  1
  Fe  Fe148  1  0.976803  0.476570  0.562037  1
  Fe  Fe149  1  0.310111  0.143412  0.562112  1
  Fe  Fe150  1  0.643418  0.810003  0.562043  1
  Fe  Fe151  1  0.898509  0.731459  0.599094  1
  Fe  Fe152  1  0.937682  0.104204  0.580482  1
  Fe  Fe153  1  0.270947  0.770766  0.580468  1
  Fe  Fe154  1  0.064938  0.564897  0.599068  1
  Fe  Fe155  1  0.398247  0.231806  0.599242  1
  Fe  Fe156  1  0.437663  0.604130  0.580442  1
  Fe  Fe157  1  0.810166  0.643254  0.562043  1
  Fe  Fe158  1  0.143574  0.309948  0.562112  1
  Fe  Fe159  1  0.476733  0.976640  0.562037  1
  Fe  Fe160  1  0.731631  0.898338  0.599094  1
  Fe  Fe161  1  0.770932  0.270780  0.580469  1
  Fe  Fe162  1  0.104371  0.937515  0.580482  1
  Fe  Fe163  1  0.133475  0.466636  0.645277  1
  Fe  Fe164  1  0.466820  0.133293  0.645278  1
  Fe  Fe165  1  0.506656  0.506476  0.626690  1
  Fe  Fe166  1  0.761040  0.427530  0.663738  1
  Fe  Fe167  1  0.094471  0.094276  0.663877  1
  Fe  Fe168  1  0.427725  0.760846  0.663737  1
  Fe  Fe169  1  0.800426  0.800243  0.645291  1
  Fe  Fe170  1  0.839876  0.172972  0.626721  1
  Fe  Fe171  1  0.173151  0.839697  0.626720  1
  Fe  Fe172  1  0.114228  0.280636  0.654733  1
  Fe  Fe173  1  0.447286  0.947007  0.654630  1
  Fe  Fe174  1  0.486551  0.320236  0.636161  1
  Fe  Fe175  1  0.859290  0.358840  0.617629  1
  Fe  Fe176  1  0.192698  0.025730  0.617700  1
  Fe  Fe177  1  0.525899  0.692465  0.617539  1
  Fe  Fe178  1  0.780981  0.613861  0.654578  1
  Fe  Fe179  1  0.820082  0.986566  0.635972  1
  Fe  Fe180  1  0.153128  0.653390  0.635850  1
  Fe  Fe181  1  0.947195  0.447097  0.654630  1
  Fe  Fe182  1  0.280825  0.114041  0.654733  1
  Fe  Fe183  1  0.320411  0.486375  0.636160  1
  Fe  Fe184  1  0.692644  0.525720  0.617539  1
  Fe  Fe185  1  0.025907  0.192519  0.617700  1
  Fe  Fe186  1  0.359018  0.859112  0.617628  1
  Fe  Fe187  1  0.614050  0.780792  0.654578  1
  Fe  Fe188  1  0.653568  0.152950  0.635851  1
  Fe  Fe189  1  0.986743  0.819904  0.635971  1
  Fe  Fe190  1  0.014938  0.348330  0.701311  1
  Fe  Fe191  1  0.348532  0.014736  0.701311  1
  Fe  Fe192  1  0.390674  0.390505  0.683862  1
  Fe  Fe193  1  0.637456  0.304723  0.719529  1
  Fe  Fe194  1  0.971890  0.971649  0.719925  1
  Fe  Fe195  1  0.304969  0.637202  0.719526  1
  Fe  Fe196  1  0.681774  0.681573  0.701213  1
  Fe  Fe197  1  0.722694  0.055212  0.682546  1
  Fe  Fe198  1  0.055392  0.722513  0.682545  1
  Fe  Fe199  1  0.994787  0.161297  0.710468  1
  Fe  Fe200  1  0.328308  0.827309  0.710379  1
  Fe  Fe201  1  0.368892  0.202334  0.692033  1
  Fe  Fe202  1  0.741724  0.241666  0.672723  1
  Fe  Fe203  1  0.075117  0.908488  0.672832  1
  Fe  Fe204  1  0.408423  0.575622  0.672638  1
  Fe  Fe205  1  0.661191  0.494535  0.710374  1
  Fe  Fe206  1  0.701787  0.868725  0.691768  1
  Fe  Fe207  1  0.034494  0.535540  0.691779  1
  Fe  Fe208  1  0.827529  0.328093  0.710381  1
  Fe  Fe209  1  0.161513  0.994570  0.710469  1
  Fe  Fe210  1  0.202522  0.368701  0.692033  1
  Fe  Fe211  1  0.575811  0.408231  0.672642  1
  Fe  Fe212  1  0.908685  0.074919  0.672832  1
  Fe  Fe213  1  0.241862  0.741528  0.672721  1
  Fe  Fe214  1  0.494749  0.660970  0.710373  1
  Fe  Fe215  1  0.535731  0.034303  0.691780  1
  Fe  Fe216  1  0.868916  0.701596  0.691768  1
  Ni  Ni217  1  0.632864  0.966054  0.330471  1
  Ni  Ni218  1  0.966154  0.632763  0.330471  1
  Ni  Ni219  1  0.006409  0.006306  0.312371  1
  Ni  Ni220  1  0.380197  0.046441  0.293713  1
  Ni  Ni221  1  0.713655  0.713567  0.293754  1
  Ni  Ni222  1  0.046532  0.380110  0.293713  1
  Ni  Ni223  1  0.420018  0.419945  0.276602  1
  Ni  Ni224  1  0.340244  0.671091  0.312020  1
  Ni  Ni225  1  0.671194  0.340141  0.312020  1
  Ni  Ni226  1  0.515626  0.848843  0.386098  1
  Ni  Ni227  1  0.848959  0.515509  0.386098  1
  Ni  Ni228  1  0.888369  0.888254  0.367563  1
  Ni  Ni229  1  0.260639  0.927229  0.348710  1
  Ni  Ni230  1  0.594394  0.594285  0.349041  1
  Ni  Ni231  1  0.927338  0.260530  0.348710  1
  Ni  Ni232  1  0.300166  0.300065  0.330199  1
  Ni  Ni233  1  0.221348  0.554979  0.367708  1
  Ni  Ni234  1  0.555094  0.221234  0.367707  1
  Ni  Ni235  1  0.398126  0.731446  0.441623  1
  Ni  Ni236  1  0.731578  0.397994  0.441623  1
  Ni  Ni237  1  0.770695  0.770568  0.423205  1
  Ni  Ni238  1  0.143199  0.809666  0.404582  1
  Ni  Ni239  1  0.476536  0.476412  0.404723  1
  Ni  Ni240  1  0.809789  0.143076  0.404582  1
  Ni  Ni241  1  0.182403  0.182285  0.386102  1
  Ni  Ni242  1  0.103990  0.437127  0.423136  1
  Ni  Ni243  1  0.437254  0.103863  0.423136  1
  Ni  Ni244  1  0.280597  0.613796  0.497201  1
  Ni  Ni245  1  0.613942  0.280450  0.497201  1
  Ni  Ni246  1  0.653141  0.652999  0.478707  1
  Ni  Ni247  1  0.025592  0.692184  0.460200  1
  Ni  Ni248  1  0.358980  0.358842  0.460208  1
  Ni  Ni249  1  0.692321  0.025455  0.460200  1
  Ni  Ni250  1  0.064867  0.064735  0.441606  1
  Ni  Ni251  1  0.986472  0.319613  0.478683  1
  Ni  Ni252  1  0.319754  0.986330  0.478683  1
  Ni  Ni253  1  0.163080  0.496104  0.552807  1
  Ni  Ni254  1  0.496265  0.162920  0.552808  1
  Ni  Ni255  1  0.535602  0.535445  0.534193  1
  Ni  Ni256  1  0.908099  0.574562  0.515740  1
  Ni  Ni257  1  0.241442  0.241291  0.515777  1
  Ni  Ni258  1  0.574713  0.907948  0.515740  1
  Ni  Ni259  1  0.947309  0.947163  0.497190  1
  Ni  Ni260  1  0.868915  0.202094  0.534209  1
  Ni  Ni261  1  0.202249  0.868760  0.534209  1
  Ni  Ni262  1  0.045432  0.378553  0.608341  1
  Ni  Ni263  1  0.378729  0.045258  0.608341  1
  Ni  Ni264  1  0.418090  0.417921  0.589808  1
  Ni  Ni265  1  0.790614  0.456989  0.571289  1
  Ni  Ni266  1  0.124002  0.123837  0.571393  1
  Ni  Ni267  1  0.457155  0.790448  0.571289  1
  Ni  Ni268  1  0.829698  0.829538  0.552784  1
  Ni  Ni269  1  0.751419  0.084524  0.589700  1
  Ni  Ni270  1  0.084692  0.751251  0.589700  1
  Ni  Ni271  1  0.927930  0.261056  0.664223  1
  Ni  Ni272  1  0.261251  0.927736  0.664223  1
  Ni  Ni273  1  0.301160  0.300978  0.646043  1
  Ni  Ni274  1  0.672799  0.339476  0.626654  1
  Ni  Ni275  1  0.006350  0.006170  0.626676  1
  Ni  Ni276  1  0.339654  0.672621  0.626653  1
  Ni  Ni277  1  0.712150  0.711974  0.608310  1
  Ni  Ni278  1  0.633769  0.967003  0.645561  1
  Ni  Ni279  1  0.967185  0.633587  0.645561  1
  Ni  Ni280  1  0.808004  0.142316  0.718787  1
  Ni  Ni281  1  0.142552  0.807766  0.718786  1
  Ni  Ni282  1  0.181786  0.181584  0.700776  1
  Ni  Ni283  1  0.555816  0.220250  0.681785  1
  Ni  Ni284  1  0.888629  0.888445  0.682110  1
  Ni  Ni285  1  0.220429  0.555634  0.681784  1
  Ni  Ni286  1  0.595206  0.595011  0.663892  1
  Ni  Ni287  1  0.514935  0.847505  0.700688  1
  Ni  Ni288  1  0.847707  0.514735  0.700688  1
