# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.54153951
_cell_length_b   12.53974485
_cell_length_c   45.68446071
_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   6836.13162425
_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  0.824372  0.158699  0.317897  1
  Fe  Fe2  1  0.157705  0.825365  0.317897  1
  Fe  Fe3  1  0.197186  0.198244  0.298862  1
  Fe  Fe4  1  0.575422  0.243246  0.281334  1
  Fe  Fe5  1  0.908755  0.909913  0.281334  1
  Fe  Fe6  1  0.242088  0.576580  0.281334  1
  Fe  Fe7  1  0.491038  0.492032  0.317897  1
  Fe  Fe8  1  0.530519  0.864911  0.298862  1
  Fe  Fe9  1  0.863852  0.531578  0.298862  1
  Fe  Fe10  1  0.804711  0.971492  0.328334  1
  Fe  Fe11  1  0.138044  0.638158  0.328334  1
  Fe  Fe12  1  0.176270  0.010625  0.307729  1
  Fe  Fe13  1  0.549682  0.052518  0.289713  1
  Fe  Fe14  1  0.883015  0.719185  0.289713  1
  Fe  Fe15  1  0.216348  0.385852  0.289713  1
  Fe  Fe16  1  0.471377  0.304825  0.328334  1
  Fe  Fe17  1  0.509604  0.677292  0.307729  1
  Fe  Fe18  1  0.842937  0.343958  0.307729  1
  Fe  Fe19  1  0.637089  0.139111  0.328335  1
  Fe  Fe20  1  0.970422  0.805778  0.328335  1
  Fe  Fe21  1  0.009595  0.177300  0.307730  1
  Fe  Fe22  1  0.384744  0.217451  0.289715  1
  Fe  Fe23  1  0.718077  0.884117  0.289715  1
  Fe  Fe24  1  0.051411  0.550784  0.289715  1
  Fe  Fe25  1  0.303755  0.472445  0.328335  1
  Fe  Fe26  1  0.342929  0.843967  0.307730  1
  Fe  Fe27  1  0.676262  0.510633  0.307730  1
  Fe  Fe28  1  0.706036  0.040396  0.374380  1
  Fe  Fe29  1  0.039369  0.707062  0.374380  1
  Fe  Fe30  1  0.079603  0.080592  0.355493  1
  Fe  Fe31  1  0.451952  0.119679  0.337312  1
  Fe  Fe32  1  0.785285  0.786345  0.337312  1
  Fe  Fe33  1  0.118618  0.453012  0.337312  1
  Fe  Fe34  1  0.372702  0.373729  0.374380  1
  Fe  Fe35  1  0.412937  0.747259  0.355493  1
  Fe  Fe36  1  0.746270  0.413926  0.355493  1
  Fe  Fe37  1  0.686710  0.854659  0.383322  1
  Fe  Fe38  1  0.020043  0.521325  0.383322  1
  Fe  Fe39  1  0.060026  0.893139  0.365242  1
  Fe  Fe40  1  0.432294  0.932094  0.346328  1
  Fe  Fe41  1  0.765627  0.598760  0.346328  1
  Fe  Fe42  1  0.098960  0.265427  0.346328  1
  Fe  Fe43  1  0.353376  0.187992  0.383322  1
  Fe  Fe44  1  0.393359  0.559805  0.365242  1
  Fe  Fe45  1  0.726692  0.226472  0.365242  1
  Fe  Fe46  1  0.520285  0.021086  0.383322  1
  Fe  Fe47  1  0.853618  0.687752  0.383322  1
  Fe  Fe48  1  0.892163  0.061004  0.365242  1
  Fe  Fe49  1  0.264396  0.099989  0.346328  1
  Fe  Fe50  1  0.597729  0.766656  0.346328  1
  Fe  Fe51  1  0.931063  0.433323  0.346328  1
  Fe  Fe52  1  0.186951  0.354419  0.383322  1
  Fe  Fe53  1  0.225496  0.727671  0.365242  1
  Fe  Fe54  1  0.558829  0.394337  0.365242  1
  Fe  Fe55  1  0.588762  0.923155  0.429650  1
  Fe  Fe56  1  0.922096  0.589822  0.429650  1
  Fe  Fe57  1  0.961456  0.962366  0.411369  1
  Fe  Fe58  1  0.333926  0.001603  0.392500  1
  Fe  Fe59  1  0.667259  0.668269  0.392500  1
  Fe  Fe60  1  0.000593  0.334936  0.392500  1
  Fe  Fe61  1  0.255429  0.256488  0.429650  1
  Fe  Fe62  1  0.294789  0.629033  0.411369  1
  Fe  Fe63  1  0.628122  0.295700  0.411369  1
  Fe  Fe64  1  0.569167  0.736790  0.438821  1
  Fe  Fe65  1  0.902501  0.403456  0.438821  1
  Fe  Fe66  1  0.941656  0.775983  0.420584  1
  Fe  Fe67  1  0.314313  0.815478  0.401802  1
  Fe  Fe68  1  0.647647  0.482145  0.401802  1
  Fe  Fe69  1  0.980980  0.148811  0.401802  1
  Fe  Fe70  1  0.235834  0.070123  0.438821  1
  Fe  Fe71  1  0.274989  0.442650  0.420584  1
  Fe  Fe72  1  0.608323  0.109316  0.420584  1
  Fe  Fe73  1  0.402410  0.903545  0.438823  1
  Fe  Fe74  1  0.735743  0.570212  0.438823  1
  Fe  Fe75  1  0.774988  0.942647  0.420583  1
  Fe  Fe76  1  0.147872  0.981919  0.401801  1
  Fe  Fe77  1  0.481205  0.648586  0.401801  1
  Fe  Fe78  1  0.814538  0.315252  0.401801  1
  Fe  Fe79  1  0.069076  0.236879  0.438823  1
  Fe  Fe80  1  0.108321  0.609313  0.420583  1
  Fe  Fe81  1  0.441655  0.275980  0.420583  1
  Fe  Fe82  1  0.470960  0.805473  0.485044  1
  Fe  Fe83  1  0.804293  0.472139  0.485044  1
  Fe  Fe84  1  0.843535  0.844424  0.466808  1
  Fe  Fe85  1  0.216205  0.883778  0.448114  1
  Fe  Fe86  1  0.549539  0.550445  0.448114  1
  Fe  Fe87  1  0.882872  0.217111  0.448114  1
  Fe  Fe88  1  0.137626  0.138806  0.485044  1
  Fe  Fe89  1  0.176869  0.511091  0.466808  1
  Fe  Fe90  1  0.510202  0.177758  0.466808  1
  Fe  Fe91  1  0.451320  0.619019  0.494370  1
  Fe  Fe92  1  0.784653  0.285686  0.494370  1
  Fe  Fe93  1  0.823880  0.658323  0.475917  1
  Fe  Fe94  1  0.196623  0.697328  0.457580  1
  Fe  Fe95  1  0.529956  0.363995  0.457580  1
  Fe  Fe96  1  0.863290  0.030661  0.457580  1
  Fe  Fe97  1  0.117986  0.952353  0.494370  1
  Fe  Fe98  1  0.157214  0.324989  0.475917  1
  Fe  Fe99  1  0.490547  0.991656  0.475917  1
  Fe  Fe100  1  0.284682  0.785636  0.494369  1
  Fe  Fe101  1  0.618016  0.452302  0.494369  1
  Fe  Fe102  1  0.657254  0.824953  0.475914  1
  Fe  Fe103  1  0.029907  0.864056  0.457581  1
  Fe  Fe104  1  0.363240  0.530723  0.457581  1
  Fe  Fe105  1  0.696574  0.197390  0.457581  1
  Fe  Fe106  1  0.951349  0.118969  0.494369  1
  Fe  Fe107  1  0.990588  0.491620  0.475914  1
  Fe  Fe108  1  0.323921  0.158286  0.475914  1
  Fe  Fe109  1  0.352937  0.687687  0.540645  1
  Fe  Fe110  1  0.686271  0.354353  0.540645  1
  Fe  Fe111  1  0.725737  0.726770  0.522179  1
  Fe  Fe112  1  0.098524  0.765713  0.503802  1
  Fe  Fe113  1  0.431857  0.432379  0.503802  1
  Fe  Fe114  1  0.765190  0.099046  0.503802  1
  Fe  Fe115  1  0.019604  0.021020  0.540645  1
  Fe  Fe116  1  0.059070  0.393436  0.522179  1
  Fe  Fe117  1  0.392403  0.060103  0.522179  1
  Fe  Fe118  1  0.333924  0.500697  0.550091  1
  Fe  Fe119  1  0.667257  0.167364  0.550091  1
  Fe  Fe120  1  0.705980  0.540715  0.531205  1
  Fe  Fe121  1  0.078885  0.579517  0.513084  1
  Fe  Fe122  1  0.412219  0.246183  0.513084  1
  Fe  Fe123  1  0.745552  0.912850  0.513084  1
  Fe  Fe124  1  0.000590  0.834031  0.550091  1
  Fe  Fe125  1  0.039314  0.207382  0.531205  1
  Fe  Fe126  1  0.372647  0.874049  0.531205  1
  Fe  Fe127  1  0.167237  0.667413  0.550098  1
  Fe  Fe128  1  0.500570  0.334079  0.550098  1
  Fe  Fe129  1  0.539265  0.707452  0.531216  1
  Fe  Fe130  1  0.912194  0.746195  0.513085  1
  Fe  Fe131  1  0.245528  0.412862  0.513085  1
  Fe  Fe132  1  0.578861  0.079528  0.513085  1
  Fe  Fe133  1  0.833904  0.000746  0.550098  1
  Fe  Fe134  1  0.872599  0.374118  0.531216  1
  Fe  Fe135  1  0.205932  0.040785  0.531216  1
  Fe  Fe136  1  0.235486  0.568893  0.596372  1
  Fe  Fe137  1  0.568819  0.235560  0.596372  1
  Fe  Fe138  1  0.607706  0.609492  0.577274  1
  Fe  Fe139  1  0.981150  0.647807  0.559408  1
  Fe  Fe140  1  0.314483  0.314473  0.559408  1
  Fe  Fe141  1  0.647817  0.981140  0.559408  1
  Fe  Fe142  1  0.902153  0.902227  0.596372  1
  Fe  Fe143  1  0.941040  0.276159  0.577274  1
  Fe  Fe144  1  0.274373  0.942826  0.577274  1
  Fe  Fe145  1  0.216838  0.382263  0.605708  1
  Fe  Fe146  1  0.550171  0.048930  0.605708  1
  Fe  Fe147  1  0.587193  0.423740  0.586906  1
  Fe  Fe148  1  0.961157  0.461869  0.568440  1
  Fe  Fe149  1  0.294490  0.128536  0.568440  1
  Fe  Fe150  1  0.627824  0.795203  0.568440  1
  Fe  Fe151  1  0.883505  0.715597  0.605708  1
  Fe  Fe152  1  0.920527  0.090407  0.586906  1
  Fe  Fe153  1  0.253860  0.757074  0.586906  1
  Fe  Fe154  1  0.049893  0.549260  0.605758  1
  Fe  Fe155  1  0.383226  0.215926  0.605758  1
  Fe  Fe156  1  0.420724  0.590178  0.586910  1
  Fe  Fe157  1  0.794666  0.628372  0.568392  1
  Fe  Fe158  1  0.128000  0.295039  0.568392  1
  Fe  Fe159  1  0.461333  0.961706  0.568392  1
  Fe  Fe160  1  0.716559  0.882593  0.605758  1
  Fe  Fe161  1  0.754057  0.256845  0.586910  1
  Fe  Fe162  1  0.087390  0.923511  0.586910  1
  Fe  Fe163  1  0.118600  0.449201  0.651848  1
  Fe  Fe164  1  0.451933  0.115868  0.651848  1
  Fe  Fe165  1  0.487496  0.493995  0.633621  1
  Fe  Fe166  1  0.863904  0.529895  0.614692  1
  Fe  Fe167  1  0.197238  0.196562  0.614692  1
  Fe  Fe168  1  0.530571  0.863228  0.614692  1
  Fe  Fe169  1  0.785266  0.782535  0.651848  1
  Fe  Fe170  1  0.820829  0.160662  0.633621  1
  Fe  Fe171  1  0.154163  0.827328  0.633621  1
  Fe  Fe172  1  0.100326  0.263273  0.660892  1
  Fe  Fe173  1  0.433660  0.929940  0.660892  1
  Fe  Fe174  1  0.470588  0.305396  0.642848  1
  Fe  Fe175  1  0.843222  0.344533  0.623300  1
  Fe  Fe176  1  0.176555  0.011200  0.623300  1
  Fe  Fe177  1  0.509888  0.677866  0.623300  1
  Fe  Fe178  1  0.766993  0.596607  0.660892  1
  Fe  Fe179  1  0.803922  0.972063  0.642848  1
  Fe  Fe180  1  0.137255  0.638730  0.642848  1
  Fe  Fe181  1  0.934319  0.429508  0.660652  1
  Fe  Fe182  1  0.267652  0.096175  0.660652  1
  Fe  Fe183  1  0.304503  0.470600  0.642906  1
  Fe  Fe184  1  0.676541  0.511031  0.623325  1
  Fe  Fe185  1  0.009874  0.177697  0.623325  1
  Fe  Fe186  1  0.343207  0.844364  0.623325  1
  Fe  Fe187  1  0.600986  0.762841  0.660652  1
  Fe  Fe188  1  0.637836  0.137266  0.642906  1
  Fe  Fe189  1  0.971170  0.803933  0.642906  1
  Fe  Fe190  1  0.000577  0.323604  0.708469  1
  Fe  Fe191  1  0.333911  0.990271  0.708469  1
  Fe  Fe192  1  0.367311  0.375564  0.690729  1
  Fe  Fe193  1  0.744788  0.410270  0.669310  1
  Fe  Fe194  1  0.078122  0.076936  0.669310  1
  Fe  Fe195  1  0.411455  0.743603  0.669310  1
  Fe  Fe196  1  0.667244  0.656938  0.708469  1
  Fe  Fe197  1  0.700644  0.042231  0.690729  1
  Fe  Fe198  1  0.033977  0.708898  0.690729  1
  Fe  Fe199  1  0.994031  0.118456  0.717834  1
  Fe  Fe200  1  0.327365  0.785123  0.717834  1
  Fe  Fe201  1  0.351137  0.184001  0.699446  1
  Fe  Fe202  1  0.712271  0.236341  0.680542  1
  Fe  Fe203  1  0.045604  0.903008  0.680542  1
  Fe  Fe204  1  0.378938  0.569675  0.680542  1
  Fe  Fe205  1  0.660698  0.451790  0.717834  1
  Fe  Fe206  1  0.684470  0.850668  0.699446  1
  Fe  Fe207  1  0.017804  0.517334  0.699446  1
  Fe  Fe208  1  0.824594  0.282962  0.717233  1
  Fe  Fe209  1  0.157927  0.949628  0.717233  1
  Fe  Fe210  1  0.184317  0.350726  0.699626  1
  Fe  Fe211  1  0.546692  0.403200  0.681340  1
  Fe  Fe212  1  0.880026  0.069867  0.681340  1
  Fe  Fe213  1  0.213359  0.736533  0.681340  1
  Fe  Fe214  1  0.491261  0.616295  0.717233  1
  Fe  Fe215  1  0.517650  0.017392  0.699626  1
  Fe  Fe216  1  0.850984  0.684059  0.699626  1
  Ni  Ni217  1  0.735643  0.070112  0.283155  1
  Ni  Ni218  1  0.068977  0.736779  0.283155  1
  Ni  Ni219  1  0.990981  0.991986  0.319720  1
  Ni  Ni220  1  0.364244  0.031966  0.301049  1
  Ni  Ni221  1  0.697577  0.698633  0.301049  1
  Ni  Ni222  1  0.030911  0.365300  0.301049  1
  Ni  Ni223  1  0.402310  0.403445  0.283155  1
  Ni  Ni224  1  0.324314  0.658653  0.319720  1
  Ni  Ni225  1  0.657647  0.325319  0.319720  1
  Ni  Ni226  1  0.618127  0.952517  0.336721  1
  Ni  Ni227  1  0.951460  0.619183  0.336721  1
  Ni  Ni228  1  0.873262  0.874287  0.374456  1
  Ni  Ni229  1  0.245788  0.913444  0.355268  1
  Ni  Ni230  1  0.579121  0.580111  0.355268  1
  Ni  Ni231  1  0.912454  0.246777  0.355268  1
  Ni  Ni232  1  0.284794  0.285850  0.336721  1
  Ni  Ni233  1  0.206595  0.540953  0.374456  1
  Ni  Ni234  1  0.539928  0.207620  0.374456  1
  Ni  Ni235  1  0.500620  0.834966  0.392646  1
  Ni  Ni236  1  0.833953  0.501633  0.392646  1
  Ni  Ni237  1  0.755367  0.756411  0.429619  1
  Ni  Ni238  1  0.127942  0.795525  0.411381  1
  Ni  Ni239  1  0.461275  0.462191  0.411381  1
  Ni  Ni240  1  0.794609  0.128858  0.411381  1
  Ni  Ni241  1  0.167286  0.168300  0.392646  1
  Ni  Ni242  1  0.088700  0.423078  0.429619  1
  Ni  Ni243  1  0.422033  0.089744  0.429619  1
  Ni  Ni244  1  0.382924  0.717177  0.448119  1
  Ni  Ni245  1  0.716257  0.383843  0.448119  1
  Ni  Ni246  1  0.637570  0.638737  0.485054  1
  Ni  Ni247  1  0.010235  0.677787  0.466805  1
  Ni  Ni248  1  0.343569  0.344454  0.466805  1
  Ni  Ni249  1  0.676902  0.011121  0.466805  1
  Ni  Ni250  1  0.049590  0.050510  0.448119  1
  Ni  Ni251  1  0.970903  0.305404  0.485054  1
  Ni  Ni252  1  0.304237  0.972071  0.485054  1
  Ni  Ni253  1  0.265184  0.599099  0.503806  1
  Ni  Ni254  1  0.598518  0.265766  0.503806  1
  Ni  Ni255  1  0.519591  0.520989  0.540606  1
  Ni  Ni256  1  0.892530  0.560149  0.522178  1
  Ni  Ni257  1  0.225863  0.226815  0.522178  1
  Ni  Ni258  1  0.559197  0.893482  0.522178  1
  Ni  Ni259  1  0.931851  0.932432  0.503806  1
  Ni  Ni260  1  0.852924  0.187656  0.540606  1
  Ni  Ni261  1  0.186257  0.854322  0.540606  1
  Ni  Ni262  1  0.147613  0.481052  0.559358  1
  Ni  Ni263  1  0.480946  0.147719  0.559358  1
  Ni  Ni264  1  0.402407  0.402841  0.596477  1
  Ni  Ni265  1  0.774409  0.442757  0.577374  1
  Ni  Ni266  1  0.107743  0.109423  0.577374  1
  Ni  Ni267  1  0.441076  0.776090  0.577374  1
  Ni  Ni268  1  0.814279  0.814385  0.559358  1
  Ni  Ni269  1  0.735740  0.069507  0.596477  1
  Ni  Ni270  1  0.069074  0.736174  0.596477  1
  Ni  Ni271  1  0.030407  0.362825  0.614510  1
  Ni  Ni272  1  0.363740  0.029492  0.614510  1
  Ni  Ni273  1  0.285860  0.283644  0.652343  1
  Ni  Ni274  1  0.654059  0.326277  0.633064  1
  Ni  Ni275  1  0.987392  0.992944  0.633064  1
  Ni  Ni276  1  0.320726  0.659611  0.633064  1
  Ni  Ni277  1  0.697073  0.696159  0.614510  1
  Ni  Ni278  1  0.619194  0.950311  0.652343  1
  Ni  Ni279  1  0.952527  0.616977  0.652343  1
  Ni  Ni280  1  0.913490  0.245408  0.669427  1
  Ni  Ni281  1  0.246824  0.912074  0.669427  1
  Ni  Ni282  1  0.167871  0.157968  0.706122  1
  Ni  Ni283  1  0.533087  0.207407  0.688418  1
  Ni  Ni284  1  0.866420  0.874074  0.688418  1
  Ni  Ni285  1  0.199753  0.540741  0.688418  1
  Ni  Ni286  1  0.580157  0.578741  0.669427  1
  Ni  Ni287  1  0.501204  0.824635  0.706122  1
  Ni  Ni288  1  0.834538  0.491302  0.706122  1
