# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.09977327
_cell_length_b   11.09711275
_cell_length_c   47.71878773
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe63 Ni189'
_cell_volume   5848.31970469
_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  0.885694  0.218477  0.329651  1
  Fe  Fe2  1  0.218749  0.885807  0.329599  1
  Fe  Fe3  1  0.280842  0.281407  0.284827  1
  Fe  Fe4  1  0.646156  0.646159  0.262868  1
  Fe  Fe5  1  0.615439  0.948292  0.284804  1
  Fe  Fe6  1  0.582403  0.250599  0.307572  1
  Fe  Fe7  1  0.946589  0.615344  0.284586  1
  Fe  Fe8  1  0.915828  0.916775  0.307676  1
  Fe  Fe9  1  0.249751  0.582863  0.306809  1
  Fe  Fe10  1  0.794020  0.127823  0.396078  1
  Fe  Fe11  1  0.127650  0.794140  0.395950  1
  Fe  Fe12  1  0.187923  0.188470  0.351428  1
  Fe  Fe13  1  0.552512  0.552083  0.329127  1
  Fe  Fe14  1  0.521386  0.855428  0.351565  1
  Fe  Fe15  1  0.491115  0.158212  0.373725  1
  Fe  Fe16  1  0.855063  0.521757  0.351507  1
  Fe  Fe17  1  0.824696  0.824605  0.373781  1
  Fe  Fe18  1  0.157862  0.491285  0.373713  1
  Fe  Fe19  1  0.702913  0.036440  0.462742  1
  Fe  Fe20  1  0.036315  0.703056  0.462748  1
  Fe  Fe21  1  0.097160  0.097299  0.418321  1
  Fe  Fe22  1  0.460607  0.461167  0.395938  1
  Fe  Fe23  1  0.430421  0.763806  0.418183  1
  Fe  Fe24  1  0.399940  0.066905  0.440498  1
  Fe  Fe25  1  0.763743  0.430635  0.418267  1
  Fe  Fe26  1  0.733319  0.733485  0.440475  1
  Fe  Fe27  1  0.066687  0.400202  0.440501  1
  Fe  Fe28  1  0.611781  0.945187  0.529514  1
  Fe  Fe29  1  0.945027  0.611941  0.529508  1
  Fe  Fe30  1  0.005893  0.005995  0.484996  1
  Fe  Fe31  1  0.369578  0.369800  0.462756  1
  Fe  Fe32  1  0.339214  0.672677  0.485000  1
  Fe  Fe33  1  0.308848  0.975581  0.507246  1
  Fe  Fe34  1  0.672487  0.339418  0.485002  1
  Fe  Fe35  1  0.642118  0.642322  0.507251  1
  Fe  Fe36  1  0.975444  0.308973  0.507253  1
  Fe  Fe37  1  0.520528  0.854052  0.596285  1
  Fe  Fe38  1  0.853801  0.520717  0.596223  1
  Fe  Fe39  1  0.914617  0.914847  0.551754  1
  Fe  Fe40  1  0.278428  0.278520  0.529495  1
  Fe  Fe41  1  0.247951  0.581537  0.551749  1
  Fe  Fe42  1  0.217588  0.884383  0.574006  1
  Fe  Fe43  1  0.581394  0.248081  0.551761  1
  Fe  Fe44  1  0.551016  0.551037  0.574030  1
  Fe  Fe45  1  0.884256  0.217667  0.573973  1
  Fe  Fe46  1  0.429252  0.762360  0.662974  1
  Fe  Fe47  1  0.762879  0.429195  0.663054  1
  Fe  Fe48  1  0.823503  0.823685  0.618684  1
  Fe  Fe49  1  0.187133  0.187282  0.596214  1
  Fe  Fe50  1  0.156759  0.490188  0.618439  1
  Fe  Fe51  1  0.126163  0.793563  0.640740  1
  Fe  Fe52  1  0.490292  0.156830  0.618502  1
  Fe  Fe53  1  0.459710  0.459893  0.640637  1
  Fe  Fe54  1  0.793131  0.126388  0.640842  1
  Fe  Fe55  1  0.334811  0.668600  0.729557  1
  Fe  Fe56  1  0.669811  0.335225  0.729400  1
  Fe  Fe57  1  0.731796  0.731988  0.684771  1
  Fe  Fe58  1  0.096407  0.095962  0.662685  1
  Fe  Fe59  1  0.064770  0.399044  0.684697  1
  Fe  Fe60  1  0.034603  0.699567  0.707538  1
  Fe  Fe61  1  0.398326  0.065566  0.684935  1
  Fe  Fe62  1  0.366626  0.367621  0.707522  1
  Fe  Fe63  1  0.700460  0.036023  0.707640  1
  Ni  Ni64  1  0.113451  0.447758  0.285744  1
  Ni  Ni65  1  0.448862  0.113406  0.285153  1
  Ni  Ni66  1  0.416727  0.416329  0.306869  1
  Ni  Ni67  1  0.780974  0.782978  0.285148  1
  Ni  Ni68  1  0.750001  0.083646  0.307313  1
  Ni  Ni69  1  0.718997  0.385484  0.329439  1
  Ni  Ni70  1  0.083374  0.749889  0.307121  1
  Ni  Ni71  1  0.051860  0.052474  0.329461  1
  Ni  Ni72  1  0.479071  0.812236  0.264009  1
  Ni  Ni73  1  0.081472  0.248741  0.306605  1
  Ni  Ni74  1  0.415734  0.917051  0.306970  1
  Ni  Ni75  1  0.385105  0.218753  0.329324  1
  Ni  Ni76  1  0.749765  0.582784  0.306984  1
  Ni  Ni77  1  0.718383  0.885710  0.329546  1
  Ni  Ni78  1  0.782289  0.280730  0.285656  1
  Ni  Ni79  1  0.051582  0.552219  0.329354  1
  Ni  Ni80  1  0.114142  0.948586  0.285657  1
  Ni  Ni81  1  0.448808  0.615451  0.285025  1
  Ni  Ni82  1  0.916407  0.416075  0.307059  1
  Ni  Ni83  1  0.249468  0.083367  0.307001  1
  Ni  Ni84  1  0.218231  0.384904  0.329319  1
  Ni  Ni85  1  0.583026  0.749971  0.307291  1
  Ni  Ni86  1  0.644292  0.150798  0.264767  1
  Ni  Ni87  1  0.615273  0.446166  0.285107  1
  Ni  Ni88  1  0.979573  0.815644  0.264703  1
  Ni  Ni89  1  0.945146  0.111478  0.285362  1
  Ni  Ni90  1  0.280290  0.782925  0.285015  1
  Ni  Ni91  1  0.021463  0.354669  0.351220  1
  Ni  Ni92  1  0.354678  0.022074  0.351390  1
  Ni  Ni93  1  0.324421  0.324939  0.373755  1
  Ni  Ni94  1  0.688749  0.688014  0.351447  1
  Ni  Ni95  1  0.657568  0.991672  0.373830  1
  Ni  Ni96  1  0.627327  0.294420  0.395995  1
  Ni  Ni97  1  0.991288  0.658128  0.373743  1
  Ni  Ni98  1  0.960979  0.960807  0.396072  1
  Ni  Ni99  1  0.385405  0.719598  0.328954  1
  Ni  Ni100  1  0.991342  0.158112  0.373948  1
  Ni  Ni101  1  0.324649  0.824579  0.373740  1
  Ni  Ni102  1  0.294050  0.127811  0.395964  1
  Ni  Ni103  1  0.657848  0.491442  0.373776  1
  Ni  Ni104  1  0.627450  0.794246  0.395938  1
  Ni  Ni105  1  0.688035  0.188562  0.351461  1
  Ni  Ni106  1  0.960961  0.460878  0.395930  1
  Ni  Ni107  1  0.021757  0.854930  0.351431  1
  Ni  Ni108  1  0.354837  0.521845  0.351131  1
  Ni  Ni109  1  0.824579  0.324738  0.373849  1
  Ni  Ni110  1  0.157872  0.991449  0.373859  1
  Ni  Ni111  1  0.127417  0.294428  0.395960  1
  Ni  Ni112  1  0.491175  0.657932  0.373562  1
  Ni  Ni113  1  0.552175  0.052297  0.329118  1
  Ni  Ni114  1  0.521127  0.355750  0.351505  1
  Ni  Ni115  1  0.885620  0.718987  0.329116  1
  Ni  Ni116  1  0.854846  0.021969  0.351793  1
  Ni  Ni117  1  0.188660  0.688008  0.351356  1
  Ni  Ni118  1  0.930449  0.264038  0.418329  1
  Ni  Ni119  1  0.263786  0.930571  0.418265  1
  Ni  Ni120  1  0.233306  0.233553  0.440494  1
  Ni  Ni121  1  0.596961  0.597300  0.418205  1
  Ni  Ni122  1  0.566621  0.900145  0.440468  1
  Ni  Ni123  1  0.536218  0.203174  0.462757  1
  Ni  Ni124  1  0.900069  0.566765  0.440485  1
  Ni  Ni125  1  0.869616  0.869746  0.462743  1
  Ni  Ni126  1  0.294234  0.627368  0.395891  1
  Ni  Ni127  1  0.900020  0.066842  0.440513  1
  Ni  Ni128  1  0.233409  0.733422  0.440458  1
  Ni  Ni129  1  0.202987  0.036405  0.462766  1
  Ni  Ni130  1  0.566580  0.400264  0.440479  1
  Ni  Ni131  1  0.536248  0.703100  0.462730  1
  Ni  Ni132  1  0.596953  0.097356  0.418279  1
  Ni  Ni133  1  0.869578  0.369824  0.462778  1
  Ni  Ni134  1  0.930495  0.763840  0.418267  1
  Ni  Ni135  1  0.263701  0.430592  0.418256  1
  Ni  Ni136  1  0.733266  0.233616  0.440520  1
  Ni  Ni137  1  0.066774  0.900084  0.440509  1
  Ni  Ni138  1  0.036282  0.203125  0.462783  1
  Ni  Ni139  1  0.399966  0.566853  0.440481  1
  Ni  Ni140  1  0.460605  0.961172  0.395994  1
  Ni  Ni141  1  0.430342  0.263999  0.418242  1
  Ni  Ni142  1  0.794231  0.627581  0.396001  1
  Ni  Ni143  1  0.763718  0.930559  0.418245  1
  Ni  Ni144  1  0.097132  0.597196  0.418232  1
  Ni  Ni145  1  0.839173  0.172709  0.485001  1
  Ni  Ni146  1  0.172595  0.839292  0.484993  1
  Ni  Ni147  1  0.142161  0.142261  0.507250  1
  Ni  Ni148  1  0.505844  0.506062  0.485001  1
  Ni  Ni149  1  0.475501  0.808924  0.507250  1
  Ni  Ni150  1  0.445126  0.111839  0.529507  1
  Ni  Ni151  1  0.808763  0.475668  0.507251  1
  Ni  Ni152  1  0.778373  0.778607  0.529514  1
  Ni  Ni153  1  0.202941  0.536453  0.462755  1
  Ni  Ni154  1  0.808793  0.975613  0.507239  1
  Ni  Ni155  1  0.142118  0.642309  0.507258  1
  Ni  Ni156  1  0.111750  0.945188  0.529490  1
  Ni  Ni157  1  0.475483  0.308954  0.507257  1
  Ni  Ni158  1  0.445086  0.611896  0.529526  1
  Ni  Ni159  1  0.505879  0.006009  0.484990  1
  Ni  Ni160  1  0.778374  0.278551  0.529498  1
  Ni  Ni161  1  0.839191  0.672706  0.484992  1
  Ni  Ni162  1  0.172536  0.339383  0.485007  1
  Ni  Ni163  1  0.642138  0.142273  0.507250  1
  Ni  Ni164  1  0.975457  0.808962  0.507246  1
  Ni  Ni165  1  0.945061  0.111852  0.529482  1
  Ni  Ni166  1  0.308806  0.475638  0.507263  1
  Ni  Ni167  1  0.369646  0.869699  0.462735  1
  Ni  Ni168  1  0.339210  0.172703  0.485005  1
  Ni  Ni169  1  0.702891  0.536483  0.462736  1
  Ni  Ni170  1  0.672527  0.839357  0.484986  1
  Ni  Ni171  1  0.005858  0.506052  0.485005  1
  Ni  Ni172  1  0.748046  0.081398  0.551759  1
  Ni  Ni173  1  0.081251  0.748222  0.551759  1
  Ni  Ni174  1  0.050903  0.051028  0.573980  1
  Ni  Ni175  1  0.414729  0.414753  0.551748  1
  Ni  Ni176  1  0.384271  0.717832  0.574034  1
  Ni  Ni177  1  0.353933  0.020540  0.596211  1
  Ni  Ni178  1  0.717601  0.384421  0.574013  1
  Ni  Ni179  1  0.687347  0.687235  0.596269  1
  Ni  Ni180  1  0.111692  0.445254  0.529497  1
  Ni  Ni181  1  0.717638  0.884401  0.574081  1
  Ni  Ni182  1  0.050848  0.551145  0.574011  1
  Ni  Ni183  1  0.020345  0.854165  0.596272  1
  Ni  Ni184  1  0.384320  0.217675  0.574000  1
  Ni  Ni185  1  0.353851  0.520671  0.596179  1
  Ni  Ni186  1  0.414711  0.914780  0.551743  1
  Ni  Ni187  1  0.687323  0.187211  0.596260  1
  Ni  Ni188  1  0.747993  0.581516  0.551746  1
  Ni  Ni189  1  0.081317  0.248102  0.551718  1
  Ni  Ni190  1  0.551053  0.050977  0.574033  1
  Ni  Ni191  1  0.884197  0.717871  0.574029  1
  Ni  Ni192  1  0.853851  0.020629  0.596304  1
  Ni  Ni193  1  0.217567  0.384375  0.573953  1
  Ni  Ni194  1  0.278414  0.778541  0.529508  1
  Ni  Ni195  1  0.248017  0.081440  0.551740  1
  Ni  Ni196  1  0.611732  0.445230  0.529507  1
  Ni  Ni197  1  0.581360  0.748165  0.551782  1
  Ni  Ni198  1  0.914638  0.414818  0.551740  1
  Ni  Ni199  1  0.656899  0.990335  0.618655  1
  Ni  Ni200  1  0.989973  0.657278  0.618515  1
  Ni  Ni201  1  0.959500  0.960034  0.640927  1
  Ni  Ni202  1  0.323347  0.323731  0.618429  1
  Ni  Ni203  1  0.293029  0.626245  0.640622  1
  Ni  Ni204  1  0.262471  0.929512  0.663293  1
  Ni  Ni205  1  0.626879  0.292796  0.640782  1
  Ni  Ni206  1  0.595802  0.596090  0.663233  1
  Ni  Ni207  1  0.020545  0.353879  0.596198  1
  Ni  Ni208  1  0.626326  0.793165  0.640663  1
  Ni  Ni209  1  0.959561  0.459970  0.640560  1
  Ni  Ni210  1  0.929693  0.762826  0.663337  1
  Ni  Ni211  1  0.293078  0.126478  0.640591  1
  Ni  Ni212  1  0.262553  0.429200  0.663077  1
  Ni  Ni213  1  0.323428  0.823652  0.618584  1
  Ni  Ni214  1  0.595982  0.096325  0.663215  1
  Ni  Ni215  1  0.656905  0.490221  0.618599  1
  Ni  Ni216  1  0.990096  0.156886  0.618458  1
  Ni  Ni217  1  0.459461  0.960072  0.640814  1
  Ni  Ni218  1  0.793309  0.626300  0.640827  1
  Ni  Ni219  1  0.762731  0.929520  0.663394  1
  Ni  Ni220  1  0.126504  0.293300  0.640772  1
  Ni  Ni221  1  0.187088  0.687463  0.596246  1
  Ni  Ni222  1  0.156860  0.990055  0.618480  1
  Ni  Ni223  1  0.520670  0.353899  0.596267  1
  Ni  Ni224  1  0.490248  0.656836  0.618513  1
  Ni  Ni225  1  0.823452  0.323502  0.618462  1
  Ni  Ni226  1  0.565396  0.898593  0.684998  1
  Ni  Ni227  1  0.898542  0.564795  0.685153  1
  Ni  Ni228  1  0.868112  0.866757  0.707508  1
  Ni  Ni229  1  0.231546  0.231561  0.684966  1
  Ni  Ni230  1  0.200666  0.533317  0.707224  1
  Ni  Ni231  1  0.169585  0.837415  0.728275  1
  Ni  Ni232  1  0.532237  0.201110  0.707186  1
  Ni  Ni233  1  0.503335  0.502124  0.728672  1
  Ni  Ni234  1  0.929549  0.262977  0.662877  1
  Ni  Ni235  1  0.534569  0.701036  0.707656  1
  Ni  Ni236  1  0.869235  0.368711  0.707351  1
  Ni  Ni237  1  0.832438  0.671064  0.728251  1
  Ni  Ni238  1  0.202305  0.035229  0.707458  1
  Ni  Ni239  1  0.165836  0.335626  0.727548  1
  Ni  Ni240  1  0.231788  0.731912  0.684974  1
  Ni  Ni241  1  0.503013  0.001158  0.728229  1
  Ni  Ni242  1  0.565271  0.398452  0.684967  1
  Ni  Ni243  1  0.899125  0.065396  0.685228  1
  Ni  Ni244  1  0.367802  0.866439  0.707414  1
  Ni  Ni245  1  0.700077  0.534220  0.707383  1
  Ni  Ni246  1  0.669394  0.836566  0.728550  1
  Ni  Ni247  1  0.034000  0.199929  0.706654  1
  Ni  Ni248  1  0.096186  0.596263  0.662802  1
  Ni  Ni249  1  0.065571  0.899929  0.685370  1
  Ni  Ni250  1  0.429245  0.263220  0.662789  1
  Ni  Ni251  1  0.398267  0.565185  0.685115  1
  Ni  Ni252  1  0.732737  0.232853  0.685248  1
