# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94999299
_cell_length_b   12.65798715
_cell_length_c   47.16596808
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe54 Ni162'
_cell_volume   5464.3793866
_cell_formula_units_Z   54
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  0.202573  0.094098  0.302038  1
  Fe  Fe2  1  0.701979  0.094338  0.302077  1
  Fe  Fe3  1  0.066221  0.364680  0.334436  1
  Fe  Fe4  1  0.135364  0.728575  0.317932  1
  Fe  Fe5  1  0.770042  0.459510  0.286671  1
  Fe  Fe6  1  0.635585  0.726940  0.317632  1
  Fe  Fe7  1  0.998507  0.001533  0.349626  1
  Fe  Fe8  1  0.498747  0.001617  0.349593  1
  Fe  Fe9  1  0.862737  0.273728  0.381519  1
  Fe  Fe10  1  0.930901  0.637741  0.365587  1
  Fe  Fe11  1  0.567774  0.365029  0.334252  1
  Fe  Fe12  1  0.430420  0.637482  0.365494  1
  Fe  Fe13  1  0.794442  0.910018  0.397100  1
  Fe  Fe14  1  0.294535  0.910118  0.397162  1
  Fe  Fe15  1  0.658180  0.182789  0.429066  1
  Fe  Fe16  1  0.726089  0.546802  0.413289  1
  Fe  Fe17  1  0.362446  0.273874  0.381515  1
  Fe  Fe18  1  0.226254  0.546714  0.413185  1
  Fe  Fe19  1  0.590062  0.819100  0.444889  1
  Fe  Fe20  1  0.090052  0.819114  0.444918  1
  Fe  Fe21  1  0.453842  0.091685  0.476750  1
  Fe  Fe22  1  0.521894  0.455471  0.460892  1
  Fe  Fe23  1  0.158261  0.182660  0.429104  1
  Fe  Fe24  1  0.021909  0.455489  0.460933  1
  Fe  Fe25  1  0.385650  0.728069  0.492636  1
  Fe  Fe26  1  0.885682  0.728068  0.492646  1
  Fe  Fe27  1  0.249399  1.000717  0.524462  1
  Fe  Fe28  1  0.317562  0.364319  0.508570  1
  Fe  Fe29  1  0.953832  0.091647  0.476770  1
  Fe  Fe30  1  0.817592  0.364295  0.508589  1
  Fe  Fe31  1  0.181336  0.636900  0.540326  1
  Fe  Fe32  1  0.681348  0.636891  0.540290  1
  Fe  Fe33  1  0.045048  0.909583  0.572160  1
  Fe  Fe34  1  0.113193  0.273255  0.556310  1
  Fe  Fe35  1  0.749410  1.000702  0.524461  1
  Fe  Fe36  1  0.613178  0.273282  0.556325  1
  Fe  Fe37  1  0.977105  0.545664  0.588039  1
  Fe  Fe38  1  0.477029  0.545572  0.587930  1
  Fe  Fe39  1  0.840573  0.818504  0.619704  1
  Fe  Fe40  1  0.908663  0.182352  0.604125  1
  Fe  Fe41  1  0.545003  0.909720  0.572113  1
  Fe  Fe42  1  0.408853  0.182264  0.604055  1
  Fe  Fe43  1  0.772962  0.454640  0.635638  1
  Fe  Fe44  1  0.272217  0.454889  0.635723  1
  Fe  Fe45  1  0.635311  0.727706  0.666785  1
  Fe  Fe46  1  0.704757  0.090766  0.651624  1
  Fe  Fe47  1  0.340719  0.818645  0.619704  1
  Fe  Fe48  1  0.204438  0.090834  0.651598  1
  Fe  Fe49  1  0.567064  0.365431  0.683587  1
  Fe  Fe50  1  0.068477  0.363809  0.683292  1
  Fe  Fe51  1  0.433985  0.632834  0.714548  1
  Fe  Fe52  1  0.501203  0.998301  0.699179  1
  Fe  Fe53  1  0.137216  0.727336  0.666968  1
  Fe  Fe54  1  0.000888  0.998016  0.699148  1
  Ni  Ni55  1  0.485509  0.277535  0.295259  1
  Ni  Ni56  1  0.985899  0.277366  0.294724  1
  Ni  Ni57  1  0.351863  0.545052  0.325965  1
  Ni  Ni58  1  0.419002  0.911420  0.310322  1
  Ni  Ni59  1  0.851990  0.545897  0.326510  1
  Ni  Ni60  1  0.918548  0.911419  0.310311  1
  Ni  Ni61  1  0.452287  0.094882  0.302429  1
  Ni  Ni62  1  0.951622  0.094548  0.302406  1
  Ni  Ni63  1  0.315925  0.364821  0.334070  1
  Ni  Ni64  1  0.384585  0.728802  0.318327  1
  Ni  Ni65  1  0.020184  0.456941  0.287884  1
  Ni  Ni66  1  0.886006  0.727395  0.317977  1
  Ni  Ni67  1  0.235539  0.278216  0.294941  1
  Ni  Ni68  1  0.735604  0.277539  0.294944  1
  Ni  Ni69  1  0.102096  0.545383  0.326140  1
  Ni  Ni70  1  0.168300  0.911829  0.310354  1
  Ni  Ni71  1  0.600673  0.545551  0.326296  1
  Ni  Ni72  1  0.668657  0.911072  0.310285  1
  Ni  Ni73  1  0.282660  0.183364  0.341598  1
  Ni  Ni74  1  0.782841  0.183260  0.341619  1
  Ni  Ni75  1  0.146361  0.456106  0.373578  1
  Ni  Ni76  1  0.214680  0.819611  0.357357  1
  Ni  Ni77  1  0.646707  0.456012  0.373650  1
  Ni  Ni78  1  0.714913  0.818960  0.357143  1
  Ni  Ni79  1  0.248954  0.001317  0.349412  1
  Ni  Ni80  1  0.748549  0.001396  0.349373  1
  Ni  Ni81  1  0.112570  0.273726  0.381556  1
  Ni  Ni82  1  0.181166  0.637587  0.365294  1
  Ni  Ni83  1  0.818182  0.364736  0.334110  1
  Ni  Ni84  1  0.680069  0.637781  0.365446  1
  Ni  Ni85  1  0.033022  0.182920  0.341597  1
  Ni  Ni86  1  0.532569  0.183593  0.341653  1
  Ni  Ni87  1  0.896334  0.456160  0.373772  1
  Ni  Ni88  1  0.964647  0.819271  0.357249  1
  Ni  Ni89  1  0.396409  0.455957  0.373461  1
  Ni  Ni90  1  0.464944  0.819289  0.357252  1
  Ni  Ni91  1  0.078628  0.091841  0.389295  1
  Ni  Ni92  1  0.578547  0.092057  0.389286  1
  Ni  Ni93  1  0.942223  0.364670  0.421271  1
  Ni  Ni94  1  0.010511  0.728378  0.405134  1
  Ni  Ni95  1  0.442198  0.364732  0.421160  1
  Ni  Ni96  1  0.510180  0.728446  0.405135  1
  Ni  Ni97  1  0.044376  0.910076  0.397163  1
  Ni  Ni98  1  0.544620  0.910008  0.397096  1
  Ni  Ni99  1  0.908257  0.182656  0.429100  1
  Ni  Ni100  1  0.976279  0.546683  0.413301  1
  Ni  Ni101  1  0.612516  0.274077  0.381401  1
  Ni  Ni102  1  0.476182  0.546607  0.413220  1
  Ni  Ni103  1  0.828391  0.091985  0.389287  1
  Ni  Ni104  1  0.328550  0.091938  0.389283  1
  Ni  Ni105  1  0.692259  0.364664  0.421214  1
  Ni  Ni106  1  0.760320  0.728394  0.405120  1
  Ni  Ni107  1  0.192186  0.364743  0.421216  1
  Ni  Ni108  1  0.260315  0.728428  0.405146  1
  Ni  Ni109  1  0.874123  0.000839  0.436961  1
  Ni  Ni110  1  0.374241  0.000820  0.436954  1
  Ni  Ni111  1  0.737902  0.273527  0.468851  1
  Ni  Ni112  1  0.805922  0.637423  0.452932  1
  Ni  Ni113  1  0.237880  0.273552  0.468843  1
  Ni  Ni114  1  0.305916  0.637378  0.452911  1
  Ni  Ni115  1  0.840081  0.819111  0.444900  1
  Ni  Ni116  1  0.340019  0.819131  0.444922  1
  Ni  Ni117  1  0.703812  0.091696  0.476745  1
  Ni  Ni118  1  0.771894  0.455471  0.460921  1
  Ni  Ni119  1  0.408217  0.182719  0.429089  1
  Ni  Ni120  1  0.271907  0.455492  0.460884  1
  Ni  Ni121  1  0.624191  0.000836  0.436946  1
  Ni  Ni122  1  0.124170  0.000818  0.436973  1
  Ni  Ni123  1  0.487869  0.273576  0.468828  1
  Ni  Ni124  1  0.555875  0.637396  0.452918  1
  Ni  Ni125  1  0.987895  0.273501  0.468866  1
  Ni  Ni126  1  0.055989  0.637402  0.452927  1
  Ni  Ni127  1  0.669749  0.909876  0.484670  1
  Ni  Ni128  1  0.169737  0.909881  0.484693  1
  Ni  Ni129  1  0.533498  0.182519  0.516529  1
  Ni  Ni130  1  0.601604  0.546183  0.500604  1
  Ni  Ni131  1  0.033502  0.182474  0.516550  1
  Ni  Ni132  1  0.101640  0.546193  0.500617  1
  Ni  Ni133  1  0.635638  0.728092  0.492637  1
  Ni  Ni134  1  0.135678  0.728076  0.492654  1
  Ni  Ni135  1  0.499423  1.000722  0.524456  1
  Ni  Ni136  1  0.567569  0.364295  0.508569  1
  Ni  Ni137  1  0.203851  0.091661  0.476757  1
  Ni  Ni138  1  0.067599  0.364289  0.508582  1
  Ni  Ni139  1  0.419756  0.909890  0.484675  1
  Ni  Ni140  1  0.919740  0.909869  0.484688  1
  Ni  Ni141  1  0.283498  0.182498  0.516530  1
  Ni  Ni142  1  0.351614  0.546179  0.500601  1
  Ni  Ni143  1  0.783490  0.182496  0.516548  1
  Ni  Ni144  1  0.851629  0.546197  0.500619  1
  Ni  Ni145  1  0.465325  0.818873  0.532356  1
  Ni  Ni146  1  0.965377  0.818802  0.532392  1
  Ni  Ni147  1  0.329045  0.091559  0.564248  1
  Ni  Ni148  1  0.397261  0.454979  0.548295  1
  Ni  Ni149  1  0.829071  0.091539  0.564275  1
  Ni  Ni150  1  0.897382  0.454974  0.548303  1
  Ni  Ni151  1  0.431315  0.636900  0.540300  1
  Ni  Ni152  1  0.931371  0.636888  0.540337  1
  Ni  Ni153  1  0.294998  0.909715  0.572126  1
  Ni  Ni154  1  0.363169  0.273254  0.556293  1
  Ni  Ni155  1  -0.000600  1.000673  0.524483  1
  Ni  Ni156  1  0.863214  0.273255  0.556327  1
  Ni  Ni157  1  0.215359  0.818846  0.532379  1
  Ni  Ni158  1  0.715364  0.818826  0.532370  1
  Ni  Ni159  1  0.079017  0.091523  0.564268  1
  Ni  Ni160  1  0.147290  0.455001  0.548310  1
  Ni  Ni161  1  0.579109  0.091569  0.564258  1
  Ni  Ni162  1  0.647329  0.454951  0.548289  1
  Ni  Ni163  1  0.261032  0.727708  0.580010  1
  Ni  Ni164  1  0.761036  0.727636  0.580003  1
  Ni  Ni165  1  0.124614  1.000384  0.611940  1
  Ni  Ni166  1  0.192911  0.363948  0.596075  1
  Ni  Ni167  1  0.624716  1.000447  0.611933  1
  Ni  Ni168  1  0.692886  0.363981  0.596101  1
  Ni  Ni169  1  0.226930  0.545768  0.587999  1
  Ni  Ni170  1  0.727095  0.545693  0.587922  1
  Ni  Ni171  1  0.090850  0.818296  0.619821  1
  Ni  Ni172  1  0.158658  0.182294  0.604063  1
  Ni  Ni173  1  0.795012  0.909662  0.572127  1
  Ni  Ni174  1  0.658829  0.182373  0.604121  1
  Ni  Ni175  1  0.011040  0.727645  0.580060  1
  Ni  Ni176  1  0.510997  0.727705  0.579951  1
  Ni  Ni177  1  0.874835  1.000318  0.611935  1
  Ni  Ni178  1  0.943058  0.363994  0.596092  1
  Ni  Ni179  1  0.374705  1.000534  0.611927  1
  Ni  Ni180  1  0.442797  0.363933  0.596081  1
  Ni  Ni181  1  0.056645  0.636419  0.627758  1
  Ni  Ni182  1  0.556771  0.636219  0.627449  1
  Ni  Ni183  1  0.920572  0.908777  0.659569  1
  Ni  Ni184  1  0.988282  0.273103  0.643976  1
  Ni  Ni185  1  0.420351  0.909454  0.659624  1
  Ni  Ni186  1  0.488594  0.273091  0.643964  1
  Ni  Ni187  1  0.023062  0.454793  0.635931  1
  Ni  Ni188  1  0.522176  0.454590  0.635772  1
  Ni  Ni189  1  0.885152  0.727559  0.667152  1
  Ni  Ni190  1  0.954341  0.090972  0.651851  1
  Ni  Ni191  1  0.590551  0.818654  0.619663  1
  Ni  Ni192  1  0.454658  0.091066  0.651806  1
  Ni  Ni193  1  0.806745  0.636270  0.627645  1
  Ni  Ni194  1  0.307001  0.636360  0.627570  1
  Ni  Ni195  1  0.670423  0.909030  0.659619  1
  Ni  Ni196  1  0.738240  0.273414  0.644079  1
  Ni  Ni197  1  0.170512  0.909105  0.659606  1
  Ni  Ni198  1  0.238651  0.272765  0.643864  1
  Ni  Ni199  1  0.851939  0.547013  0.675094  1
  Ni  Ni200  1  0.350707  0.546799  0.674916  1
  Ni  Ni201  1  0.718162  0.814227  0.706279  1
  Ni  Ni202  1  0.784299  0.181301  0.690940  1
  Ni  Ni203  1  0.217621  0.814749  0.706281  1
  Ni  Ni204  1  0.284683  0.180539  0.690870  1
  Ni  Ni205  1  0.817938  0.364989  0.683246  1
  Ni  Ni206  1  0.317930  0.363564  0.682891  1
  Ni  Ni207  1  0.681524  0.635469  0.713339  1
  Ni  Ni208  1  0.751710  0.997521  0.698788  1
  Ni  Ni209  1  0.387335  0.727635  0.667111  1
  Ni  Ni210  1  0.250720  0.997802  0.698819  1
  Ni  Ni211  1  0.602339  0.546486  0.674709  1
  Ni  Ni212  1  0.101403  0.547322  0.675252  1
  Ni  Ni213  1  0.467722  0.815021  0.706495  1
  Ni  Ni214  1  0.534976  0.180970  0.690892  1
  Ni  Ni215  1  0.967451  0.814850  0.705960  1
  Ni  Ni216  1  0.034525  0.180957  0.690910  1
