# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.67498802
_cell_length_b   12.67341572
_cell_length_c   45.97280647
_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   7026.59007893
_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  0.633822  0.967113  0.331364  1
  Fe  Fe2  1  0.966949  0.633986  0.331365  1
  Fe  Fe3  1  0.007028  0.007187  0.312387  1
  Fe  Fe4  1  0.380092  0.046843  0.293894  1
  Fe  Fe5  1  0.713446  0.713622  0.293961  1
  Fe  Fe6  1  0.046669  0.380269  0.293894  1
  Fe  Fe7  1  0.419866  0.420078  0.276074  1
  Fe  Fe8  1  0.340594  0.672572  0.312127  1
  Fe  Fe9  1  0.672417  0.340752  0.312128  1
  Fe  Fe10  1  0.516283  0.849788  0.386403  1
  Fe  Fe11  1  0.849648  0.516422  0.386403  1
  Fe  Fe12  1  0.888977  0.889120  0.367856  1
  Fe  Fe13  1  0.261555  0.928400  0.349383  1
  Fe  Fe14  1  0.595056  0.595207  0.349497  1
  Fe  Fe15  1  0.928248  0.261706  0.349383  1
  Fe  Fe16  1  0.300886  0.301049  0.331075  1
  Fe  Fe17  1  0.222023  0.555879  0.367944  1
  Fe  Fe18  1  0.555735  0.222168  0.367943  1
  Fe  Fe19  1  0.398690  0.732196  0.442018  1
  Fe  Fe20  1  0.732076  0.398810  0.442018  1
  Fe  Fe21  1  0.771284  0.771411  0.423619  1
  Fe  Fe22  1  0.143826  0.810606  0.404843  1
  Fe  Fe23  1  0.477199  0.477331  0.404969  1
  Fe  Fe24  1  0.810474  0.143957  0.404843  1
  Fe  Fe25  1  0.183022  0.183162  0.386404  1
  Fe  Fe26  1  0.104602  0.438030  0.423577  1
  Fe  Fe27  1  0.437903  0.104729  0.423577  1
  Fe  Fe28  1  0.281057  0.614495  0.497705  1
  Fe  Fe29  1  0.614394  0.281159  0.497705  1
  Fe  Fe30  1  0.653626  0.653734  0.479163  1
  Fe  Fe31  1  0.026156  0.692983  0.460634  1
  Fe  Fe32  1  0.359521  0.359635  0.460641  1
  Fe  Fe33  1  0.692869  0.026270  0.460634  1
  Fe  Fe34  1  0.065386  0.065506  0.442009  1
  Fe  Fe35  1  0.986955  0.320369  0.479148  1
  Fe  Fe36  1  0.320261  0.987063  0.479148  1
  Fe  Fe37  1  0.163454  0.496812  0.553411  1
  Fe  Fe38  1  0.496729  0.163537  0.553411  1
  Fe  Fe39  1  0.535975  0.536063  0.534750  1
  Fe  Fe40  1  0.908523  0.575257  0.516288  1
  Fe  Fe41  1  0.241860  0.241955  0.516308  1
  Fe  Fe42  1  0.575162  0.908618  0.516288  1
  Fe  Fe43  1  0.947745  0.947847  0.497686  1
  Fe  Fe44  1  0.869292  0.202736  0.534756  1
  Fe  Fe45  1  0.202647  0.869381  0.534755  1
  Fe  Fe46  1  0.045707  0.379096  0.609042  1
  Fe  Fe47  1  0.379033  0.045770  0.609042  1
  Fe  Fe48  1  0.418261  0.418332  0.590584  1
  Fe  Fe49  1  0.790922  0.457608  0.571871  1
  Fe  Fe50  1  0.124280  0.124355  0.571921  1
  Fe  Fe51  1  0.457532  0.790997  0.571871  1
  Fe  Fe52  1  0.830101  0.830184  0.553395  1
  Fe  Fe53  1  0.751590  0.084988  0.590472  1
  Fe  Fe54  1  0.084917  0.751661  0.590472  1
  Fe  Fe55  1  0.928100  0.261572  0.664430  1
  Fe  Fe56  1  0.261532  0.928141  0.664430  1
  Fe  Fe57  1  0.300976  0.301029  0.646232  1
  Fe  Fe58  1  0.673111  0.340013  0.627396  1
  Fe  Fe59  1  0.006643  0.006700  0.627398  1
  Fe  Fe60  1  0.339956  0.673168  0.627395  1
  Fe  Fe61  1  0.712397  0.712460  0.609025  1
  Fe  Fe62  1  0.634041  0.967389  0.646057  1
  Fe  Fe63  1  0.967336  0.634094  0.646057  1
  Fe  Fe64  1  0.808934  0.142588  0.719883  1
  Fe  Fe65  1  0.142589  0.808933  0.719883  1
  Fe  Fe66  1  0.182560  0.182591  0.701628  1
  Fe  Fe67  1  0.556025  0.221166  0.682926  1
  Fe  Fe68  1  0.888871  0.888917  0.683122  1
  Fe  Fe69  1  0.221121  0.556070  0.682926  1
  Fe  Fe70  1  0.595171  0.595211  0.664149  1
  Fe  Fe71  1  0.515645  0.848662  0.701582  1
  Fe  Fe72  1  0.848633  0.515677  0.701582  1
  Ni  Ni73  1  0.840250  0.174155  0.312717  1
  Ni  Ni74  1  0.173996  0.840409  0.312717  1
  Ni  Ni75  1  0.214133  0.214309  0.294262  1
  Ni  Ni76  1  0.467093  0.133535  0.331057  1
  Ni  Ni77  1  0.800357  0.800520  0.331115  1
  Ni  Ni78  1  0.133372  0.467255  0.331058  1
  Ni  Ni79  1  0.507438  0.507598  0.312998  1
  Ni  Ni80  1  0.547390  0.880826  0.294322  1
  Ni  Ni81  1  0.880650  0.547566  0.294322  1
  Ni  Ni82  1  0.819889  0.986845  0.321525  1
  Ni  Ni83  1  0.152829  0.653667  0.321550  1
  Ni  Ni84  1  0.193780  0.027142  0.303486  1
  Ni  Ni85  1  0.566884  0.065868  0.285716  1
  Ni  Ni86  1  0.899779  0.733071  0.285734  1
  Ni  Ni87  1  0.233401  0.400437  0.285400  1
  Ni  Ni88  1  0.486761  0.319843  0.321871  1
  Ni  Ni89  1  0.527211  0.693976  0.303507  1
  Ni  Ni90  1  0.860095  0.360476  0.303463  1
  Ni  Ni91  1  0.653509  0.152986  0.321549  1
  Ni  Ni92  1  0.986689  0.820044  0.321525  1
  Ni  Ni93  1  0.026979  0.193945  0.303487  1
  Ni  Ni94  1  0.400243  0.233589  0.285400  1
  Ni  Ni95  1  0.732879  0.899974  0.285735  1
  Ni  Ni96  1  0.065677  0.567079  0.285718  1
  Ni  Ni97  1  0.319683  0.486919  0.321875  1
  Ni  Ni98  1  0.360312  0.860258  0.303464  1
  Ni  Ni99  1  0.693812  0.527375  0.303507  1
  Ni  Ni100  1  0.722409  0.055783  0.367674  1
  Ni  Ni101  1  0.055640  0.722552  0.367674  1
  Ni  Ni102  1  0.094901  0.095052  0.349186  1
  Ni  Ni103  1  0.349631  0.016553  0.386394  1
  Ni  Ni104  1  0.683074  0.683214  0.386463  1
  Ni  Ni105  1  0.016413  0.349771  0.386394  1
  Ni  Ni106  1  0.389066  0.389208  0.367871  1
  Ni  Ni107  1  0.428046  0.761438  0.349128  1
  Ni  Ni108  1  0.761288  0.428197  0.349128  1
  Ni  Ni109  1  0.702630  0.869389  0.377343  1
  Ni  Ni110  1  0.035875  0.536025  0.377311  1
  Ni  Ni111  1  0.075266  0.908701  0.358401  1
  Ni  Ni112  1  0.447598  0.947718  0.339985  1
  Ni  Ni113  1  0.781035  0.614518  0.340031  1
  Ni  Ni114  1  0.114528  0.281225  0.339965  1
  Ni  Ni115  1  0.369250  0.202830  0.377247  1
  Ni  Ni116  1  0.408527  0.575521  0.358592  1
  Ni  Ni117  1  0.741688  0.242159  0.358344  1
  Ni  Ni118  1  0.535882  0.036019  0.377311  1
  Ni  Ni119  1  0.869245  0.702774  0.377343  1
  Ni  Ni120  1  0.908555  0.075412  0.358401  1
  Ni  Ni121  1  0.281067  0.114685  0.339965  1
  Ni  Ni122  1  0.614361  0.781192  0.340031  1
  Ni  Ni123  1  0.947561  0.447755  0.339985  1
  Ni  Ni124  1  0.202687  0.369393  0.377247  1
  Ni  Ni125  1  0.242014  0.741834  0.358344  1
  Ni  Ni126  1  0.575374  0.408672  0.358592  1
  Ni  Ni127  1  0.604584  0.938030  0.423616  1
  Ni  Ni128  1  0.937903  0.604711  0.423616  1
  Ni  Ni129  1  0.977163  0.977295  0.404873  1
  Ni  Ni130  1  0.232035  0.898813  0.441996  1
  Ni  Ni131  1  0.565404  0.565524  0.442037  1
  Ni  Ni132  1  0.898693  0.232155  0.441996  1
  Ni  Ni133  1  0.271268  0.271395  0.423584  1
  Ni  Ni134  1  0.310393  0.644026  0.404922  1
  Ni  Ni135  1  0.643894  0.310524  0.404922  1
  Ni  Ni136  1  0.584989  0.751798  0.432802  1
  Ni  Ni137  1  0.918310  0.418401  0.432765  1
  Ni  Ni138  1  0.957623  0.791031  0.414224  1
  Ni  Ni139  1  0.330054  0.830142  0.395587  1
  Ni  Ni140  1  0.663508  0.496842  0.395663  1
  Ni  Ni141  1  0.996766  0.163490  0.395617  1
  Ni  Ni142  1  0.251636  0.085106  0.432776  1
  Ni  Ni143  1  0.290891  0.457706  0.414264  1
  Ni  Ni144  1  0.624347  0.124235  0.414244  1
  Ni  Ni145  1  0.418278  0.918433  0.432765  1
  Ni  Ni146  1  0.751674  0.585113  0.432802  1
  Ni  Ni147  1  0.790902  0.957752  0.414224  1
  Ni  Ni148  1  0.163355  0.996902  0.395617  1
  Ni  Ni149  1  0.496706  0.663644  0.395663  1
  Ni  Ni150  1  0.830006  0.330190  0.395587  1
  Ni  Ni151  1  0.084983  0.251759  0.432776  1
  Ni  Ni152  1  0.124105  0.624476  0.414245  1
  Ni  Ni153  1  0.457578  0.291019  0.414264  1
  Ni  Ni154  1  0.486921  0.820408  0.479150  1
  Ni  Ni155  1  0.820300  0.487029  0.479150  1
  Ni  Ni156  1  0.859531  0.859645  0.460614  1
  Ni  Ni157  1  0.114401  0.781169  0.497700  1
  Ni  Ni158  1  0.447740  0.447841  0.497714  1
  Ni  Ni159  1  0.781067  0.114502  0.497700  1
  Ni  Ni160  1  0.153620  0.153728  0.479157  1
  Ni  Ni161  1  0.192812  0.526313  0.460627  1
  Ni  Ni162  1  0.526200  0.192926  0.460627  1
  Ni  Ni163  1  0.467352  0.634137  0.488397  1
  Ni  Ni164  1  0.800689  0.300774  0.488389  1
  Ni  Ni165  1  0.839884  0.673327  0.469944  1
  Ni  Ni166  1  0.212414  0.712602  0.451309  1
  Ni  Ni167  1  0.545823  0.379218  0.451326  1
  Ni  Ni168  1  0.879133  0.045924  0.451288  1
  Ni  Ni169  1  0.134031  0.967457  0.488389  1
  Ni  Ni170  1  0.173223  0.339988  0.469929  1
  Ni  Ni171  1  0.506509  0.006668  0.469929  1
  Ni  Ni172  1  0.300670  0.800794  0.488389  1
  Ni  Ni173  1  0.634032  0.467456  0.488397  1
  Ni  Ni174  1  0.673216  0.839995  0.469944  1
  Ni  Ni175  1  0.045808  0.879250  0.451288  1
  Ni  Ni176  1  0.379101  0.545940  0.451326  1
  Ni  Ni177  1  0.712485  0.212530  0.451309  1
  Ni  Ni178  1  0.967353  0.134136  0.488389  1
  Ni  Ni179  1  0.006557  0.506619  0.469929  1
  Ni  Ni180  1  0.339877  0.173333  0.469929  1
  Ni  Ni181  1  0.369303  0.702706  0.534751  1
  Ni  Ni182  1  0.702617  0.369392  0.534751  1
  Ni  Ni183  1  0.741864  0.741959  0.516301  1
  Ni  Ni184  1  0.996733  0.663487  0.553379  1
  Ni  Ni185  1  0.330096  0.330179  0.553425  1
  Ni  Ni186  1  0.663404  0.996816  0.553379  1
  Ni  Ni187  1  0.035991  0.036080  0.534753  1
  Ni  Ni188  1  0.075212  0.408594  0.516300  1
  Ni  Ni189  1  0.408499  0.075307  0.516300  1
  Ni  Ni190  1  0.349695  0.516397  0.544112  1
  Ni  Ni191  1  0.682955  0.183118  0.544101  1
  Ni  Ni192  1  0.722272  0.555666  0.525514  1
  Ni  Ni193  1  0.094787  0.594874  0.507010  1
  Ni  Ni194  1  0.428122  0.261562  0.507019  1
  Ni  Ni195  1  0.761472  0.928222  0.507007  1
  Ni  Ni196  1  0.016355  0.849780  0.544084  1
  Ni  Ni197  1  0.055604  0.222344  0.525534  1
  Ni  Ni198  1  0.388889  0.889022  0.525517  1
  Ni  Ni199  1  0.183032  0.683041  0.544101  1
  Ni  Ni200  1  0.516311  0.349781  0.544113  1
  Ni  Ni201  1  0.555575  0.722364  0.525514  1
  Ni  Ni202  1  0.928123  0.761570  0.507007  1
  Ni  Ni203  1  0.261464  0.428220  0.507019  1
  Ni  Ni204  1  0.594776  0.094886  0.507010  1
  Ni  Ni205  1  0.849694  0.016441  0.544084  1
  Ni  Ni206  1  0.888930  0.388980  0.525517  1
  Ni  Ni207  1  0.222252  0.055696  0.525534  1
  Ni  Ni208  1  0.251730  0.584930  0.590552  1
  Ni  Ni209  1  0.584859  0.251802  0.590552  1
  Ni  Ni210  1  0.624212  0.624287  0.571850  1
  Ni  Ni211  1  0.879191  0.545825  0.609045  1
  Ni  Ni212  1  0.212583  0.212646  0.609134  1
  Ni  Ni213  1  0.545762  0.879254  0.609045  1
  Ni  Ni214  1  0.918338  0.918409  0.590503  1
  Ni  Ni215  1  0.957538  0.290942  0.571891  1
  Ni  Ni216  1  0.290866  0.957614  0.571891  1
  Ni  Ni217  1  0.232092  0.398823  0.599841  1
  Ni  Ni218  1  0.565325  0.065460  0.599757  1
  Ni  Ni219  1  0.604582  0.438036  0.581085  1
  Ni  Ni220  1  0.977150  0.477201  0.562657  1
  Ni  Ni221  1  0.310495  0.143931  0.562700  1
  Ni  Ni222  1  0.643804  0.810571  0.562662  1
  Ni  Ni223  1  0.898698  0.732151  0.599775  1
  Ni  Ni224  1  0.937993  0.104708  0.581088  1
  Ni  Ni225  1  0.271303  0.771302  0.581089  1
  Ni  Ni226  1  0.065393  0.565392  0.599757  1
  Ni  Ni227  1  0.398756  0.232160  0.599841  1
  Ni  Ni228  1  0.437963  0.604654  0.581085  1
  Ni  Ni229  1  0.810492  0.643883  0.562662  1
  Ni  Ni230  1  0.143852  0.310574  0.562700  1
  Ni  Ni231  1  0.477122  0.977229  0.562657  1
  Ni  Ni232  1  0.732083  0.898766  0.599775  1
  Ni  Ni233  1  0.771229  0.271376  0.581090  1
  Ni  Ni234  1  0.104635  0.938067  0.581088  1
  Ni  Ni235  1  0.133610  0.467185  0.646150  1
  Ni  Ni236  1  0.467133  0.133664  0.646150  1
  Ni  Ni237  1  0.506489  0.506544  0.627419  1
  Ni  Ni238  1  0.761290  0.428334  0.664680  1
  Ni  Ni239  1  0.094978  0.095019  0.664743  1
  Ni  Ni240  1  0.428293  0.761331  0.664679  1
  Ni  Ni241  1  0.800524  0.800578  0.646172  1
  Ni  Ni242  1  0.839853  0.173180  0.627340  1
  Ni  Ni243  1  0.173123  0.839909  0.627340  1
  Ni  Ni244  1  0.114518  0.281155  0.655526  1
  Ni  Ni245  1  0.447706  0.947589  0.655476  1
  Ni  Ni246  1  0.486766  0.320292  0.637194  1
  Ni  Ni247  1  0.859427  0.359582  0.618252  1
  Ni  Ni248  1  0.192854  0.026341  0.618286  1
  Ni  Ni249  1  0.526089  0.693041  0.618179  1
  Ni  Ni250  1  0.781193  0.614406  0.655441  1
  Ni  Ni251  1  0.820266  0.986830  0.636981  1
  Ni  Ni252  1  0.153363  0.653627  0.636930  1
  Ni  Ni253  1  0.947541  0.447753  0.655475  1
  Ni  Ni254  1  0.281107  0.114565  0.655526  1
  Ni  Ni255  1  0.320235  0.486823  0.637194  1
  Ni  Ni256  1  0.692982  0.526147  0.618179  1
  Ni  Ni257  1  0.026282  0.192913  0.618286  1
  Ni  Ni258  1  0.359523  0.859486  0.618251  1
  Ni  Ni259  1  0.614358  0.781241  0.655441  1
  Ni  Ni260  1  0.653571  0.153420  0.636930  1
  Ni  Ni261  1  0.986774  0.820323  0.636981  1
  Ni  Ni262  1  0.015408  0.348849  0.701169  1
  Ni  Ni263  1  0.348817  0.015439  0.701169  1
  Ni  Ni264  1  0.389823  0.389869  0.683584  1
  Ni  Ni265  1  0.643491  0.309650  0.718582  1
  Ni  Ni266  1  0.976691  0.976691  0.719014  1
  Ni  Ni267  1  0.309650  0.643488  0.718581  1
  Ni  Ni268  1  0.681690  0.681722  0.701117  1
  Ni  Ni269  1  0.722480  0.055388  0.683055  1
  Ni  Ni270  1  0.055344  0.722524  0.683055  1
  Ni  Ni271  1  0.995226  0.162348  0.710406  1
  Ni  Ni272  1  0.328800  0.828462  0.710372  1
  Ni  Ni273  1  0.369154  0.202486  0.691937  1
  Ni  Ni274  1  0.742325  0.242249  0.673517  1
  Ni  Ni275  1  0.075792  0.908937  0.673589  1
  Ni  Ni276  1  0.409256  0.575404  0.673655  1
  Ni  Ni277  1  0.661181  0.495368  0.710160  1
  Ni  Ni278  1  0.702050  0.868559  0.691896  1
  Ni  Ni279  1  0.035064  0.535492  0.691886  1
  Ni  Ni280  1  0.828444  0.328819  0.710371  1
  Ni  Ni281  1  0.162328  0.995245  0.710406  1
  Ni  Ni282  1  0.202445  0.369195  0.691936  1
  Ni  Ni283  1  0.575362  0.409298  0.673658  1
  Ni  Ni284  1  0.908900  0.075828  0.673589  1
  Ni  Ni285  1  0.242211  0.742363  0.673517  1
  Ni  Ni286  1  0.495347  0.661191  0.710159  1
  Ni  Ni287  1  0.535451  0.035104  0.691886  1
  Ni  Ni288  1  0.868519  0.702092  0.691896  1
