# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.18268364
_cell_length_b   11.18102728
_cell_length_c   48.19330956
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe189 Ni63'
_cell_volume   5995.59231947
_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  0.112489  0.441999  0.287783  1
  Fe  Fe2  1  0.444334  0.111956  0.286525  1
  Fe  Fe3  1  0.411987  0.412495  0.309249  1
  Fe  Fe4  1  0.777116  0.781119  0.286859  1
  Fe  Fe5  1  0.745084  0.078290  0.310657  1
  Fe  Fe6  1  0.713554  0.380109  0.333256  1
  Fe  Fe7  1  0.077877  0.742875  0.310365  1
  Fe  Fe8  1  0.143974  0.145097  0.266839  1
  Fe  Fe9  1  0.477621  0.811763  0.266417  1
  Fe  Fe10  1  0.077689  0.245800  0.310322  1
  Fe  Fe11  1  0.411533  0.912423  0.310260  1
  Fe  Fe12  1  0.380937  0.214331  0.332780  1
  Fe  Fe13  1  0.746341  0.577106  0.309834  1
  Fe  Fe14  1  0.713880  0.880694  0.332682  1
  Fe  Fe15  1  0.780041  0.280795  0.288643  1
  Fe  Fe16  1  0.047623  0.546642  0.332283  1
  Fe  Fe17  1  0.111022  0.948402  0.288442  1
  Fe  Fe18  1  0.445239  0.612324  0.287982  1
  Fe  Fe19  1  0.912699  0.413242  0.310154  1
  Fe  Fe20  1  0.246870  0.079417  0.310600  1
  Fe  Fe21  1  0.213908  0.381292  0.332604  1
  Fe  Fe22  1  0.579973  0.745903  0.310362  1
  Fe  Fe23  1  0.648145  0.144847  0.267066  1
  Fe  Fe24  1  0.613899  0.442046  0.287700  1
  Fe  Fe25  1  0.979731  0.809959  0.267098  1
  Fe  Fe26  1  0.938757  0.108647  0.287417  1
  Fe  Fe27  1  0.271792  0.779194  0.287567  1
  Fe  Fe28  1  0.017076  0.351161  0.354642  1
  Fe  Fe29  1  0.350248  0.017385  0.354874  1
  Fe  Fe30  1  0.320044  0.320343  0.376952  1
  Fe  Fe31  1  0.683797  0.683904  0.354546  1
  Fe  Fe32  1  0.653620  0.986891  0.376769  1
  Fe  Fe33  1  0.622999  0.290242  0.398994  1
  Fe  Fe34  1  0.987121  0.653717  0.376543  1
  Fe  Fe35  1  0.047646  0.049179  0.332229  1
  Fe  Fe36  1  0.381145  0.714916  0.331729  1
  Fe  Fe37  1  0.986734  0.153699  0.376911  1
  Fe  Fe38  1  0.320124  0.819899  0.376700  1
  Fe  Fe39  1  0.289775  0.123371  0.399132  1
  Fe  Fe40  1  0.653181  0.487573  0.376857  1
  Fe  Fe41  1  0.623189  0.789752  0.398969  1
  Fe  Fe42  1  0.683752  0.183853  0.354583  1
  Fe  Fe43  1  0.956419  0.456982  0.399062  1
  Fe  Fe44  1  0.017348  0.850630  0.354465  1
  Fe  Fe45  1  0.350619  0.517452  0.354027  1
  Fe  Fe46  1  0.820693  0.320497  0.376981  1
  Fe  Fe47  1  0.153205  0.987031  0.376817  1
  Fe  Fe48  1  0.122856  0.290219  0.399142  1
  Fe  Fe49  1  0.486471  0.653623  0.376536  1
  Fe  Fe50  1  0.546955  0.049088  0.331954  1
  Fe  Fe51  1  0.515997  0.351182  0.354411  1
  Fe  Fe52  1  0.880384  0.714539  0.331573  1
  Fe  Fe53  1  0.850906  0.017487  0.354654  1
  Fe  Fe54  1  0.184648  0.683396  0.354190  1
  Fe  Fe55  1  0.925901  0.259494  0.421357  1
  Fe  Fe56  1  0.259286  0.925995  0.421221  1
  Fe  Fe57  1  0.228819  0.229064  0.443556  1
  Fe  Fe58  1  0.592502  0.592838  0.421228  1
  Fe  Fe59  1  0.562157  0.895587  0.443503  1
  Fe  Fe60  1  0.531736  0.198541  0.465767  1
  Fe  Fe61  1  0.895455  0.562398  0.443573  1
  Fe  Fe62  1  0.956390  0.956384  0.399039  1
  Fe  Fe63  1  0.289826  0.623293  0.398915  1
  Fe  Fe64  1  0.895503  0.062249  0.443513  1
  Fe  Fe65  1  0.228829  0.728945  0.443456  1
  Fe  Fe66  1  0.198418  0.031804  0.465754  1
  Fe  Fe67  1  0.561997  0.395842  0.443469  1
  Fe  Fe68  1  0.531656  0.698590  0.465734  1
  Fe  Fe69  1  0.592651  0.092761  0.421311  1
  Fe  Fe70  1  0.865008  0.365291  0.465782  1
  Fe  Fe71  1  0.926083  0.759240  0.421230  1
  Fe  Fe72  1  0.259236  0.426300  0.421334  1
  Fe  Fe73  1  0.728731  0.229061  0.443517  1
  Fe  Fe74  1  0.062263  0.895494  0.443455  1
  Fe  Fe75  1  0.031756  0.198549  0.465769  1
  Fe  Fe76  1  0.395426  0.562351  0.443486  1
  Fe  Fe77  1  0.456462  0.956512  0.399098  1
  Fe  Fe78  1  0.426035  0.259618  0.421306  1
  Fe  Fe79  1  0.789869  0.623210  0.399064  1
  Fe  Fe80  1  0.759359  0.925923  0.421214  1
  Fe  Fe81  1  0.092566  0.592864  0.421278  1
  Fe  Fe82  1  0.834606  0.168084  0.487978  1
  Fe  Fe83  1  0.167951  0.834787  0.487987  1
  Fe  Fe84  1  0.137514  0.137627  0.510235  1
  Fe  Fe85  1  0.501251  0.501503  0.487990  1
  Fe  Fe86  1  0.470825  0.804387  0.510252  1
  Fe  Fe87  1  0.440413  0.107151  0.532525  1
  Fe  Fe88  1  0.804163  0.471032  0.510239  1
  Fe  Fe89  1  0.865081  0.865190  0.465737  1
  Fe  Fe90  1  0.198376  0.531940  0.465788  1
  Fe  Fe91  1  0.804162  0.970995  0.510254  1
  Fe  Fe92  1  0.137455  0.637753  0.510258  1
  Fe  Fe93  1  0.106988  0.940571  0.532496  1
  Fe  Fe94  1  0.470883  0.304248  0.510252  1
  Fe  Fe95  1  0.440325  0.607244  0.532459  1
  Fe  Fe96  1  0.501353  1.001389  0.488027  1
  Fe  Fe97  1  0.773728  0.273761  0.532451  1
  Fe  Fe98  1  0.834599  0.668213  0.488028  1
  Fe  Fe99  1  0.167995  0.334778  0.488026  1
  Fe  Fe100  1  0.637527  0.137620  0.510244  1
  Fe  Fe101  1  0.970783  0.804399  0.510276  1
  Fe  Fe102  1  0.940377  0.107191  0.532467  1
  Fe  Fe103  1  0.304171  0.470986  0.510250  1
  Fe  Fe104  1  0.365071  0.865149  0.465721  1
  Fe  Fe105  1  0.334660  0.168102  0.488018  1
  Fe  Fe106  1  0.698278  0.531984  0.465770  1
  Fe  Fe107  1  0.667942  0.834818  0.488023  1
  Fe  Fe108  1  0.001255  0.501541  0.488045  1
  Fe  Fe109  1  0.743246  0.076799  0.554768  1
  Fe  Fe110  1  0.076526  0.743534  0.554775  1
  Fe  Fe111  1  0.046095  0.046364  0.576988  1
  Fe  Fe112  1  0.409989  0.409992  0.554702  1
  Fe  Fe113  1  0.379421  0.713064  0.576922  1
  Fe  Fe114  1  0.349124  0.016179  0.599203  1
  Fe  Fe115  1  0.712915  0.379531  0.576846  1
  Fe  Fe116  1  0.773685  0.773942  0.532541  1
  Fe  Fe117  1  0.107071  0.440506  0.532481  1
  Fe  Fe118  1  0.712920  0.879904  0.577120  1
  Fe  Fe119  1  0.046314  0.546167  0.576967  1
  Fe  Fe120  1  0.015449  0.849709  0.599250  1
  Fe  Fe121  1  0.379700  0.212911  0.577074  1
  Fe  Fe122  1  0.349208  0.515489  0.599108  1
  Fe  Fe123  1  0.409829  0.910243  0.554724  1
  Fe  Fe124  1  0.682413  0.182553  0.599346  1
  Fe  Fe125  1  0.743251  0.576822  0.554679  1
  Fe  Fe126  1  0.076596  0.243353  0.554711  1
  Fe  Fe127  1  0.546358  0.046525  0.577091  1
  Fe  Fe128  1  0.879419  0.713262  0.577056  1
  Fe  Fe129  1  0.848725  0.016166  0.599391  1
  Fe  Fe130  1  0.212969  0.379467  0.576943  1
  Fe  Fe131  1  0.273614  0.773953  0.532495  1
  Fe  Fe132  1  0.243261  0.076766  0.554725  1
  Fe  Fe133  1  0.607042  0.440459  0.532433  1
  Fe  Fe134  1  0.576605  0.743470  0.554736  1
  Fe  Fe135  1  0.910040  0.409929  0.554670  1
  Fe  Fe136  1  0.651881  0.985480  0.621803  1
  Fe  Fe137  1  0.985328  0.652059  0.621371  1
  Fe  Fe138  1  0.954455  0.955552  0.643971  1
  Fe  Fe139  1  0.318725  0.318442  0.621566  1
  Fe  Fe140  1  0.288305  0.621619  0.643463  1
  Fe  Fe141  1  0.256504  0.923617  0.666417  1
  Fe  Fe142  1  0.621341  0.288164  0.644112  1
  Fe  Fe143  1  0.682517  0.682675  0.599184  1
  Fe  Fe144  1  0.015704  0.349009  0.599197  1
  Fe  Fe145  1  0.621367  0.788749  0.643455  1
  Fe  Fe146  1  0.954708  0.455135  0.643509  1
  Fe  Fe147  1  0.924267  0.757976  0.666240  1
  Fe  Fe148  1  0.287896  0.121468  0.643680  1
  Fe  Fe149  1  0.257727  0.425281  0.666502  1
  Fe  Fe150  1  0.318271  0.819129  0.621468  1
  Fe  Fe151  1  0.591139  0.092447  0.666738  1
  Fe  Fe152  1  0.652130  0.484434  0.621257  1
  Fe  Fe153  1  0.985091  0.151632  0.621486  1
  Fe  Fe154  1  0.454098  0.954849  0.643634  1
  Fe  Fe155  1  0.788794  0.621049  0.643461  1
  Fe  Fe156  1  0.758497  0.924787  0.666620  1
  Fe  Fe157  1  0.122147  0.288068  0.643676  1
  Fe  Fe158  1  0.182284  0.682506  0.599203  1
  Fe  Fe159  1  0.151906  0.985670  0.621568  1
  Fe  Fe160  1  0.515850  0.348882  0.599258  1
  Fe  Fe161  1  0.484773  0.652103  0.621160  1
  Fe  Fe162  1  0.818108  0.318687  0.621375  1
  Fe  Fe163  1  0.561406  0.894980  0.687426  1
  Fe  Fe164  1  0.894537  0.560089  0.687577  1
  Fe  Fe165  1  0.863187  0.859101  0.711009  1
  Fe  Fe166  1  0.228748  0.227921  0.687907  1
  Fe  Fe167  1  0.191108  0.528054  0.711311  1
  Fe  Fe168  1  0.162419  0.827661  0.731396  1
  Fe  Fe169  1  0.524211  0.192993  0.710547  1
  Fe  Fe170  1  0.591958  0.591666  0.664787  1
  Fe  Fe171  1  0.924955  0.259110  0.665203  1
  Fe  Fe172  1  0.527929  0.694607  0.710307  1
  Fe  Fe173  1  0.864245  0.367040  0.710575  1
  Fe  Fe174  1  0.828585  0.658080  0.731279  1
  Fe  Fe175  1  0.197125  0.033527  0.711089  1
  Fe  Fe176  1  0.161475  0.325843  0.731155  1
  Fe  Fe177  1  0.226916  0.725160  0.687726  1
  Fe  Fe178  1  0.495144  0.993757  0.731369  1
  Fe  Fe179  1  0.559348  0.393327  0.688337  1
  Fe  Fe180  1  0.892400  0.060709  0.688362  1
  Fe  Fe181  1  0.362527  0.858315  0.710086  1
  Fe  Fe182  1  0.690026  0.529300  0.709826  1
  Fe  Fe183  1  0.661377  0.828504  0.731547  1
  Fe  Fe184  1  0.023606  0.194892  0.709769  1
  Fe  Fe185  1  0.091965  0.591452  0.665406  1
  Fe  Fe186  1  0.060307  0.894749  0.688155  1
  Fe  Fe187  1  0.424866  0.259013  0.665924  1
  Fe  Fe188  1  0.395028  0.559487  0.688215  1
  Fe  Fe189  1  0.729078  0.228111  0.689143  1
  Ni  Ni190  1  0.881400  0.214828  0.332476  1
  Ni  Ni191  1  0.307356  0.975267  0.265913  1
  Ni  Ni192  1  0.278029  0.276891  0.288262  1
  Ni  Ni193  1  0.641291  0.642017  0.266210  1
  Ni  Ni194  1  0.610762  0.945734  0.287755  1
  Ni  Ni195  1  0.578380  0.246756  0.310053  1
  Ni  Ni196  1  0.942579  0.609440  0.287206  1
  Ni  Ni197  1  0.912024  0.912924  0.310236  1
  Ni  Ni198  1  0.245809  0.578727  0.309331  1
  Ni  Ni199  1  0.789614  0.123269  0.399071  1
  Ni  Ni200  1  0.214152  0.881461  0.332354  1
  Ni  Ni201  1  0.183578  0.184429  0.354758  1
  Ni  Ni202  1  0.548479  0.547569  0.332015  1
  Ni  Ni203  1  0.516867  0.851173  0.354569  1
  Ni  Ni204  1  0.487100  0.153579  0.376874  1
  Ni  Ni205  1  0.850431  0.517874  0.354535  1
  Ni  Ni206  1  0.820600  0.819799  0.376694  1
  Ni  Ni207  1  0.153739  0.487254  0.376829  1
  Ni  Ni208  1  0.698422  0.031806  0.465747  1
  Ni  Ni209  1  0.123141  0.789589  0.398892  1
  Ni  Ni210  1  0.092626  0.092770  0.421307  1
  Ni  Ni211  1  0.456051  0.456839  0.398919  1
  Ni  Ni212  1  0.425995  0.759316  0.421194  1
  Ni  Ni213  1  0.395516  0.062332  0.443547  1
  Ni  Ni214  1  0.759241  0.426270  0.421320  1
  Ni  Ni215  1  0.728816  0.729011  0.443514  1
  Ni  Ni216  1  0.062106  0.395816  0.443573  1
  Ni  Ni217  1  0.607093  0.940586  0.532554  1
  Ni  Ni218  1  0.031730  0.698599  0.465769  1
  Ni  Ni219  1  0.001293  1.001375  0.487981  1
  Ni  Ni220  1  0.365078  0.365255  0.465782  1
  Ni  Ni221  1  0.334569  0.668161  0.487989  1
  Ni  Ni222  1  0.304158  0.970984  0.510233  1
  Ni  Ni223  1  0.667895  0.334793  0.487975  1
  Ni  Ni224  1  0.637449  0.637736  0.510239  1
  Ni  Ni225  1  0.970849  0.304284  0.510226  1
  Ni  Ni226  1  0.515578  0.849484  0.599164  1
  Ni  Ni227  1  0.940382  0.607298  0.532529  1
  Ni  Ni228  1  0.909814  0.910281  0.554781  1
  Ni  Ni229  1  0.273803  0.273782  0.532504  1
  Ni  Ni230  1  0.243250  0.576758  0.554712  1
  Ni  Ni231  1  0.212727  0.879806  0.577008  1
  Ni  Ni232  1  0.576657  0.243350  0.554748  1
  Ni  Ni233  1  0.546254  0.546156  0.576883  1
  Ni  Ni234  1  0.879464  0.212876  0.576965  1
  Ni  Ni235  1  0.424550  0.757045  0.665755  1
  Ni  Ni236  1  0.849101  0.515695  0.599063  1
  Ni  Ni237  1  0.818783  0.819103  0.621696  1
  Ni  Ni238  1  0.182316  0.182503  0.599201  1
  Ni  Ni239  1  0.152415  0.484867  0.621413  1
  Ni  Ni240  1  0.120944  0.788749  0.643640  1
  Ni  Ni241  1  0.485634  0.151941  0.621705  1
  Ni  Ni242  1  0.454648  0.455037  0.643656  1
  Ni  Ni243  1  0.787532  0.122070  0.644052  1
  Ni  Ni244  1  0.330075  0.663015  0.732054  1
  Ni  Ni245  1  0.757401  0.424109  0.665996  1
  Ni  Ni246  1  0.726044  0.725891  0.687722  1
  Ni  Ni247  1  0.091142  0.091414  0.666121  1
  Ni  Ni248  1  0.059658  0.393533  0.687884  1
  Ni  Ni249  1  0.028138  0.693701  0.710373  1
  Ni  Ni250  1  0.391933  0.059360  0.687948  1
  Ni  Ni251  1  0.361642  0.364242  0.711020  1
  Ni  Ni252  1  0.696048  0.029217  0.711285  1
