# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.46548397
_cell_length_b   12.46433760
_cell_length_c   45.35699358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe72 Ni216'
_cell_volume   6705.40434505
_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  0.621110  0.954728  0.336169  1
  Fe  Fe2  1  0.072545  0.739794  0.281224  1
  Fe  Fe3  1  0.994530  0.994349  0.318130  1
  Fe  Fe4  1  0.367678  0.034018  0.299397  1
  Fe  Fe5  1  0.700392  0.701308  0.299396  1
  Fe  Fe6  1  0.033564  0.367192  0.299418  1
  Fe  Fe7  1  0.406141  0.406199  0.281224  1
  Fe  Fe8  1  0.327527  0.661140  0.318024  1
  Fe  Fe9  1  0.660734  0.328146  0.318130  1
  Fe  Fe10  1  0.503838  0.837439  0.391676  1
  Fe  Fe11  1  0.954676  0.621422  0.336000  1
  Fe  Fe12  1  0.876328  0.876954  0.373341  1
  Fe  Fe13  1  0.248969  0.915893  0.354430  1
  Fe  Fe14  1  0.582285  0.582577  0.354430  1
  Fe  Fe15  1  0.915161  0.248770  0.354149  1
  Fe  Fe16  1  0.287805  0.288293  0.336000  1
  Fe  Fe17  1  0.209721  0.543328  0.373383  1
  Fe  Fe18  1  0.543349  0.209934  0.373340  1
  Fe  Fe19  1  0.386097  0.719682  0.447216  1
  Fe  Fe20  1  0.837148  0.504175  0.391683  1
  Fe  Fe21  1  0.758634  0.758834  0.428725  1
  Fe  Fe22  1  0.131206  0.798114  0.410284  1
  Fe  Fe23  1  0.464520  0.464801  0.410284  1
  Fe  Fe24  1  0.797850  0.131444  0.410217  1
  Fe  Fe25  1  0.170574  0.170748  0.391683  1
  Fe  Fe26  1  0.091883  0.425473  0.428682  1
  Fe  Fe27  1  0.425244  0.092224  0.428726  1
  Fe  Fe28  1  0.268324  0.601894  0.502848  1
  Fe  Fe29  1  0.719475  0.386332  0.447199  1
  Fe  Fe30  1  0.640938  0.641167  0.484265  1
  Fe  Fe31  1  0.013478  0.680422  0.465828  1
  Fe  Fe32  1  0.346842  0.347057  0.465827  1
  Fe  Fe33  1  0.680146  0.013726  0.465834  1
  Fe  Fe34  1  0.052748  0.053060  0.447199  1
  Fe  Fe35  1  0.974249  0.307823  0.484244  1
  Fe  Fe36  1  0.307593  0.974513  0.484265  1
  Fe  Fe37  1  0.150594  0.484148  0.558440  1
  Fe  Fe38  1  0.601670  0.268580  0.502828  1
  Fe  Fe39  1  0.523160  0.523475  0.539827  1
  Fe  Fe40  1  0.895788  0.562676  0.521348  1
  Fe  Fe41  1  0.229112  0.229352  0.521348  1
  Fe  Fe42  1  0.562434  0.895998  0.521329  1
  Fe  Fe43  1  0.935011  0.935239  0.502827  1
  Fe  Fe44  1  0.856522  0.190082  0.539820  1
  Fe  Fe45  1  0.189917  0.856719  0.539826  1
  Fe  Fe46  1  0.032909  0.366446  0.613917  1
  Fe  Fe47  1  0.483903  0.150843  0.558425  1
  Fe  Fe48  1  0.405542  0.405686  0.595483  1
  Fe  Fe49  1  0.778107  0.444954  0.576844  1
  Fe  Fe50  1  0.111406  0.111655  0.576844  1
  Fe  Fe51  1  0.444727  0.778275  0.576799  1
  Fe  Fe52  1  0.817289  0.817457  0.558425  1
  Fe  Fe53  1  0.738799  0.072343  0.595387  1
  Fe  Fe54  1  0.072142  0.739087  0.595483  1
  Fe  Fe55  1  0.915358  0.248879  0.669443  1
  Fe  Fe56  1  0.366324  0.033124  0.613943  1
  Fe  Fe57  1  0.287828  0.288084  0.651230  1
  Fe  Fe58  1  0.659898  0.327457  0.632308  1
  Fe  Fe59  1  0.993923  0.993432  0.632307  1
  Fe  Fe60  1  0.326787  0.660323  0.632508  1
  Fe  Fe61  1  0.699587  0.699861  0.613944  1
  Fe  Fe62  1  0.620843  0.954373  0.651029  1
  Fe  Fe63  1  0.954554  0.621357  0.651230  1
  Fe  Fe64  1  0.797279  0.130754  0.723881  1
  Fe  Fe65  1  0.248872  0.915775  0.669218  1
  Fe  Fe66  1  0.169511  0.169361  0.706151  1
  Fe  Fe67  1  0.543270  0.209416  0.688069  1
  Fe  Fe68  1  0.875894  0.876796  0.688070  1
  Fe  Fe69  1  0.209240  0.542760  0.687859  1
  Fe  Fe70  1  0.582256  0.582391  0.669218  1
  Fe  Fe71  1  0.502643  0.836151  0.706151  1
  Fe  Fe72  1  0.835854  0.503021  0.706151  1
  Ni  Ni73  1  0.825688  0.159302  0.315940  1
  Ni  Ni74  1  0.160751  0.827630  0.317162  1
  Ni  Ni75  1  0.200179  0.200310  0.298640  1
  Ni  Ni76  1  0.573985  0.241991  0.281762  1
  Ni  Ni77  1  0.908339  0.907636  0.281763  1
  Ni  Ni78  1  0.241549  0.575201  0.281184  1
  Ni  Ni79  1  0.494016  0.494365  0.317162  1
  Ni  Ni80  1  0.533716  0.867342  0.298639  1
  Ni  Ni81  1  0.866684  0.533806  0.298640  1
  Ni  Ni82  1  0.807149  0.974774  0.327024  1
  Ni  Ni83  1  0.140931  0.640908  0.327236  1
  Ni  Ni84  1  0.180237  0.013447  0.307735  1
  Ni  Ni85  1  0.554691  0.054376  0.289898  1
  Ni  Ni86  1  0.886395  0.720642  0.289585  1
  Ni  Ni87  1  0.219767  0.387321  0.289533  1
  Ni  Ni88  1  0.473901  0.307935  0.327368  1
  Ni  Ni89  1  0.513369  0.680290  0.307747  1
  Ni  Ni90  1  0.846493  0.346758  0.307765  1
  Ni  Ni91  1  0.641156  0.140768  0.327022  1
  Ni  Ni92  1  0.974312  0.807524  0.327368  1
  Ni  Ni93  1  0.013139  0.180113  0.307764  1
  Ni  Ni94  1  0.387007  0.220030  0.289584  1
  Ni  Ni95  1  0.720742  0.888333  0.289898  1
  Ni  Ni96  1  0.053686  0.553402  0.289532  1
  Ni  Ni97  1  0.307285  0.474554  0.327237  1
  Ni  Ni98  1  0.346670  0.846988  0.307746  1
  Ni  Ni99  1  0.679828  0.513858  0.307734  1
  Ni  Ni100  1  0.709472  0.043078  0.373356  1
  Ni  Ni101  1  0.042861  0.709758  0.373334  1
  Ni  Ni102  1  0.082668  0.082812  0.354617  1
  Ni  Ni103  1  0.454889  0.122052  0.336265  1
  Ni  Ni104  1  0.788434  0.788507  0.336265  1
  Ni  Ni105  1  0.121562  0.455180  0.336193  1
  Ni  Ni106  1  0.376152  0.376467  0.373334  1
  Ni  Ni107  1  0.415863  0.749471  0.354601  1
  Ni  Ni108  1  0.749203  0.416277  0.354618  1
  Ni  Ni109  1  0.690067  0.856925  0.382453  1
  Ni  Ni110  1  0.023315  0.523596  0.382394  1
  Ni  Ni111  1  0.062979  0.896087  0.364019  1
  Ni  Ni112  1  0.435226  0.935220  0.345339  1
  Ni  Ni113  1  0.768575  0.601962  0.345315  1
  Ni  Ni114  1  0.101802  0.268440  0.345328  1
  Ni  Ni115  1  0.356720  0.190396  0.382409  1
  Ni  Ni116  1  0.396231  0.562751  0.363977  1
  Ni  Ni117  1  0.729782  0.229226  0.363842  1
  Ni  Ni118  1  0.523320  0.023672  0.382453  1
  Ni  Ni119  1  0.856792  0.690324  0.382409  1
  Ni  Ni120  1  0.895621  0.063387  0.363843  1
  Ni  Ni121  1  0.268348  0.102189  0.345316  1
  Ni  Ni122  1  0.601606  0.768839  0.345339  1
  Ni  Ni123  1  0.934826  0.435416  0.345328  1
  Ni  Ni124  1  0.189992  0.356919  0.382394  1
  Ni  Ni125  1  0.229145  0.729836  0.363977  1
  Ni  Ni126  1  0.562481  0.396585  0.364019  1
  Ni  Ni127  1  0.591973  0.925563  0.428751  1
  Ni  Ni128  1  0.925325  0.592250  0.428738  1
  Ni  Ni129  1  0.964592  0.964975  0.410230  1
  Ni  Ni130  1  0.337080  0.004030  0.391610  1
  Ni  Ni131  1  0.670430  0.670681  0.391610  1
  Ni  Ni132  1  0.003564  0.337164  0.391521  1
  Ni  Ni133  1  0.258660  0.258915  0.428738  1
  Ni  Ni134  1  0.297942  0.631536  0.410263  1
  Ni  Ni135  1  0.631381  0.298186  0.410230  1
  Ni  Ni136  1  0.572374  0.739258  0.437955  1
  Ni  Ni137  1  0.905696  0.405891  0.437925  1
  Ni  Ni138  1  0.944884  0.778555  0.419548  1
  Ni  Ni139  1  0.317491  0.817862  0.400883  1
  Ni  Ni140  1  0.650836  0.484566  0.400894  1
  Ni  Ni141  1  0.984088  0.151225  0.400801  1
  Ni  Ni142  1  0.239041  0.072609  0.437964  1
  Ni  Ni143  1  0.278222  0.445122  0.419566  1
  Ni  Ni144  1  0.611570  0.111825  0.419574  1
  Ni  Ni145  1  0.405671  0.905962  0.437955  1
  Ni  Ni146  1  0.739021  0.572628  0.437964  1
  Ni  Ni147  1  0.778231  0.945163  0.419575  1
  Ni  Ni148  1  0.150969  0.984432  0.400894  1
  Ni  Ni149  1  0.484265  0.651088  0.400883  1
  Ni  Ni150  1  0.817628  0.317685  0.400801  1
  Ni  Ni151  1  0.072304  0.239284  0.437925  1
  Ni  Ni152  1  0.111530  0.611815  0.419566  1
  Ni  Ni153  1  0.444962  0.278477  0.419547  1
  Ni  Ni154  1  0.474266  0.807840  0.484256  1
  Ni  Ni155  1  0.807618  0.474499  0.484260  1
  Ni  Ni156  1  0.846799  0.847041  0.465819  1
  Ni  Ni157  1  0.219422  0.886346  0.447230  1
  Ni  Ni158  1  0.552762  0.553007  0.447230  1
  Ni  Ni159  1  0.886075  0.219659  0.447183  1
  Ni  Ni160  1  0.140925  0.141192  0.484260  1
  Ni  Ni161  1  0.180101  0.513681  0.465815  1
  Ni  Ni162  1  0.513461  0.180379  0.465819  1
  Ni  Ni163  1  0.454625  0.621560  0.493529  1
  Ni  Ni164  1  0.787974  0.288214  0.493518  1
  Ni  Ni165  1  0.827216  0.660774  0.475040  1
  Ni  Ni166  1  0.199795  0.700013  0.456556  1
  Ni  Ni167  1  0.533166  0.366679  0.456541  1
  Ni  Ni168  1  0.866450  0.033383  0.456531  1
  Ni  Ni169  1  0.121305  0.954901  0.493527  1
  Ni  Ni170  1  0.160519  0.327447  0.475024  1
  Ni  Ni171  1  0.493850  0.994123  0.475034  1
  Ni  Ni172  1  0.287988  0.788196  0.493529  1
  Ni  Ni173  1  0.621329  0.454877  0.493527  1
  Ni  Ni174  1  0.660546  0.827427  0.475034  1
  Ni  Ni175  1  0.033097  0.866748  0.456541  1
  Ni  Ni176  1  0.366431  0.533377  0.456556  1
  Ni  Ni177  1  0.699801  0.200032  0.456531  1
  Ni  Ni178  1  0.954642  0.121546  0.493518  1
  Ni  Ni179  1  0.993870  0.494096  0.475024  1
  Ni  Ni180  1  0.327197  0.160793  0.475041  1
  Ni  Ni181  1  0.356510  0.690069  0.539839  1
  Ni  Ni182  1  0.689857  0.356785  0.539825  1
  Ni  Ni183  1  0.729119  0.729322  0.521343  1
  Ni  Ni184  1  0.101683  0.768577  0.502838  1
  Ni  Ni185  1  0.435008  0.435253  0.502838  1
  Ni  Ni186  1  0.768340  0.101909  0.502824  1
  Ni  Ni187  1  0.023226  0.023416  0.539825  1
  Ni  Ni188  1  0.062434  0.395998  0.521337  1
  Ni  Ni189  1  0.395759  0.062683  0.521343  1
  Ni  Ni190  1  0.336892  0.503780  0.549157  1
  Ni  Ni191  1  0.670202  0.170472  0.549113  1
  Ni  Ni192  1  0.709511  0.543058  0.530561  1
  Ni  Ni193  1  0.082048  0.582271  0.512121  1
  Ni  Ni194  1  0.415380  0.248956  0.512119  1
  Ni  Ni195  1  0.748726  0.915585  0.512111  1
  Ni  Ni196  1  0.003597  0.837095  0.549131  1
  Ni  Ni197  1  0.042820  0.209732  0.530554  1
  Ni  Ni198  1  0.376162  0.876394  0.530542  1
  Ni  Ni199  1  0.170223  0.670449  0.549157  1
  Ni  Ni200  1  0.503539  0.337154  0.549131  1
  Ni  Ni201  1  0.542833  0.709723  0.530543  1
  Ni  Ni202  1  0.915389  0.748947  0.512119  1
  Ni  Ni203  1  0.248704  0.415615  0.512121  1
  Ni  Ni204  1  0.582018  0.082293  0.512111  1
  Ni  Ni205  1  0.836915  0.003758  0.549113  1
  Ni  Ni206  1  0.876171  0.376382  0.530554  1
  Ni  Ni207  1  0.209497  0.043073  0.530561  1
  Ni  Ni208  1  0.238740  0.572284  0.595472  1
  Ni  Ni209  1  0.572026  0.238994  0.595415  1
  Ni  Ni210  1  0.611420  0.611676  0.576817  1
  Ni  Ni211  1  0.983963  0.650852  0.558445  1
  Ni  Ni212  1  0.317298  0.317517  0.558445  1
  Ni  Ni213  1  0.650599  0.984152  0.558398  1
  Ni  Ni214  1  0.905450  0.905569  0.595415  1
  Ni  Ni215  1  0.944730  0.278278  0.576831  1
  Ni  Ni216  1  0.278128  0.944968  0.576817  1
  Ni  Ni217  1  0.219231  0.385998  0.604781  1
  Ni  Ni218  1  0.552491  0.052680  0.604724  1
  Ni  Ni219  1  0.591651  0.425458  0.586099  1
  Ni  Ni220  1  0.964339  0.464593  0.567651  1
  Ni  Ni221  1  0.297678  0.131278  0.567666  1
  Ni  Ni222  1  0.631007  0.797901  0.567632  1
  Ni  Ni223  1  0.885900  0.719366  0.604805  1
  Ni  Ni224  1  0.925104  0.091939  0.586108  1
  Ni  Ni225  1  0.258435  0.758573  0.586161  1
  Ni  Ni226  1  0.052456  0.552772  0.604781  1
  Ni  Ni227  1  0.385825  0.219442  0.604805  1
  Ni  Ni228  1  0.425027  0.591982  0.586161  1
  Ni  Ni229  1  0.797727  0.631229  0.567666  1
  Ni  Ni230  1  0.131042  0.297890  0.567651  1
  Ni  Ni231  1  0.464350  0.964557  0.567632  1
  Ni  Ni232  1  0.719139  0.886032  0.604724  1
  Ni  Ni233  1  0.758392  0.258651  0.586108  1
  Ni  Ni234  1  0.091913  0.925197  0.586098  1
  Ni  Ni235  1  0.120983  0.454512  0.651068  1
  Ni  Ni236  1  0.454494  0.121299  0.651132  1
  Ni  Ni237  1  0.493555  0.493909  0.632555  1
  Ni  Ni238  1  0.866328  0.533166  0.614000  1
  Ni  Ni239  1  0.199629  0.199866  0.614000  1
  Ni  Ni240  1  0.532836  0.866373  0.613930  1
  Ni  Ni241  1  0.787770  0.788024  0.651133  1
  Ni  Ni242  1  0.827000  0.160535  0.632419  1
  Ni  Ni243  1  0.160374  0.827089  0.632554  1
  Ni  Ni244  1  0.101370  0.268694  0.660239  1
  Ni  Ni245  1  0.434739  0.935361  0.660239  1
  Ni  Ni246  1  0.473907  0.307613  0.641833  1
  Ni  Ni247  1  0.846691  0.346725  0.623092  1
  Ni  Ni248  1  0.180086  0.013499  0.623037  1
  Ni  Ni249  1  0.513284  0.680119  0.623029  1
  Ni  Ni250  1  0.768163  0.602071  0.660229  1
  Ni  Ni251  1  0.807221  0.974184  0.641660  1
  Ni  Ni252  1  0.140430  0.641024  0.641779  1
  Ni  Ni253  1  0.935171  0.434894  0.660238  1
  Ni  Ni254  1  0.268547  0.101687  0.660229  1
  Ni  Ni255  1  0.307491  0.473963  0.641779  1
  Ni  Ni256  1  0.679965  0.513620  0.623038  1
  Ni  Ni257  1  0.013190  0.180226  0.623092  1
  Ni  Ni258  1  0.346585  0.846818  0.623029  1
  Ni  Ni259  1  0.601838  0.768262  0.660239  1
  Ni  Ni260  1  0.640653  0.140753  0.641660  1
  Ni  Ni261  1  0.974079  0.807440  0.641834  1
  Ni  Ni262  1  0.002517  0.336025  0.706978  1
  Ni  Ni263  1  0.336160  0.002892  0.706910  1
  Ni  Ni264  1  0.376314  0.376316  0.688643  1
  Ni  Ni265  1  0.748865  0.415674  0.669041  1
  Ni  Ni266  1  0.082156  0.082383  0.669040  1
  Ni  Ni267  1  0.415545  0.749063  0.668982  1
  Ni  Ni268  1  0.669383  0.669670  0.706910  1
  Ni  Ni269  1  0.708787  0.042309  0.688016  1
  Ni  Ni270  1  0.042794  0.709836  0.688643  1
  Ni  Ni271  1  0.983634  0.148799  0.715612  1
  Ni  Ni272  1  0.316631  0.816459  0.715103  1
  Ni  Ni273  1  0.356422  0.189867  0.697719  1
  Ni  Ni274  1  0.728509  0.230215  0.678492  1
  Ni  Ni275  1  0.062309  0.896149  0.679179  1
  Ni  Ni276  1  0.395721  0.562740  0.679153  1
  Ni  Ni277  1  0.649537  0.483192  0.715149  1
  Ni  Ni278  1  0.689607  0.856717  0.697772  1
  Ni  Ni279  1  0.022842  0.523135  0.697719  1
  Ni  Ni280  1  0.815304  0.317132  0.715613  1
  Ni  Ni281  1  0.149694  0.983030  0.715149  1
  Ni  Ni282  1  0.189617  0.356359  0.697719  1
  Ni  Ni283  1  0.562626  0.395833  0.679180  1
  Ni  Ni284  1  0.896696  0.062030  0.678488  1
  Ni  Ni285  1  0.229215  0.729247  0.679153  1
  Ni  Ni286  1  0.482961  0.650124  0.715103  1
  Ni  Ni287  1  0.523199  0.023124  0.697772  1
  Ni  Ni288  1  0.856350  0.689941  0.697719  1
