# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93143281
_cell_length_b   10.92478941
_cell_length_c   48.16555709
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe81 Ni27'
_cell_volume   2529.20822416
_cell_formula_units_Z   27
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  0.341963  0.844972  0.311632  1
  Fe  Fe2  1  0.038641  0.235457  0.280852  1
  Fe  Fe3  1  0.178557  0.513176  0.291560  1
  Fe  Fe4  1  0.526846  0.712815  0.277575  1
  Fe  Fe5  1  0.686813  0.033696  0.294291  1
  Fe  Fe6  1  0.846638  0.353142  0.316631  1
  Fe  Fe7  1  0.843289  0.844998  0.311637  1
  Fe  Fe8  1  0.537901  0.235534  0.280863  1
  Fe  Fe9  1  0.674265  0.513169  0.291576  1
  Fe  Fe10  1  0.808710  0.779453  0.361293  1
  Fe  Fe11  1  0.502551  0.159805  0.330780  1
  Fe  Fe12  1  0.657355  0.482589  0.348722  1
  Fe  Fe13  1  0.992238  0.647012  0.327627  1
  Fe  Fe14  1  0.155157  0.971207  0.346762  1
  Fe  Fe15  1  0.313252  0.290134  0.364950  1
  Fe  Fe16  1  0.306572  0.779076  0.361301  1
  Fe  Fe17  1  0.996308  0.159800  0.330764  1
  Fe  Fe18  1  0.164000  0.482900  0.348719  1
  Fe  Fe19  1  0.285528  0.737334  0.414722  1
  Fe  Fe20  1  0.968141  0.102824  0.380337  1
  Fe  Fe21  1  0.128483  0.420260  0.398171  1
  Fe  Fe22  1  0.472692  0.608658  0.382231  1
  Fe  Fe23  1  0.623386  0.912533  0.395094  1
  Fe  Fe24  1  0.783982  0.233407  0.414278  1
  Fe  Fe25  1  0.786921  0.737479  0.414716  1
  Fe  Fe26  1  0.470572  0.102895  0.380363  1
  Fe  Fe27  1  0.627056  0.420253  0.398172  1
  Fe  Fe28  1  0.756834  0.680519  0.464551  1
  Fe  Fe29  1  0.439987  0.044794  0.429778  1
  Fe  Fe30  1  0.598707  0.365088  0.447707  1
  Fe  Fe31  1  0.942350  0.550811  0.431483  1
  Fe  Fe32  1  0.099514  0.865259  0.447949  1
  Fe  Fe33  1  0.255375  0.178162  0.463653  1
  Fe  Fe34  1  0.256593  0.680507  0.464554  1
  Fe  Fe35  1  0.938164  0.044684  0.429771  1
  Fe  Fe36  1  0.099602  0.365111  0.447709  1
  Fe  Fe37  1  0.228703  0.626252  0.514381  1
  Fe  Fe38  1  0.914117  0.995683  0.480723  1
  Fe  Fe39  1  0.071410  0.310967  0.497552  1
  Fe  Fe40  1  0.413966  0.495752  0.481120  1
  Fe  Fe41  1  0.571410  0.810967  0.497552  1
  Fe  Fe42  1  0.728854  0.126183  0.513983  1
  Fe  Fe43  1  0.728619  0.626226  0.514378  1
  Fe  Fe44  1  0.414201  0.995709  0.480725  1
  Fe  Fe45  1  0.571410  0.310967  0.497552  1
  Fe  Fe46  1  0.702833  0.577141  0.565325  1
  Fe  Fe47  1  0.385986  0.941416  0.530553  1
  Fe  Fe48  1  0.544113  0.256847  0.547397  1
  Fe  Fe49  1  0.887445  0.443772  0.531450  1
  Fe  Fe50  1  0.043306  0.756676  0.547155  1
  Fe  Fe51  1  0.200470  0.071124  0.563620  1
  Fe  Fe52  1  0.204656  0.577251  0.565332  1
  Fe  Fe53  1  0.886227  0.941427  0.530550  1
  Fe  Fe54  1  0.043218  0.256824  0.547394  1
  Fe  Fe55  1  0.174679  0.519111  0.614766  1
  Fe  Fe56  1  0.857292  0.884601  0.580381  1
  Fe  Fe57  1  0.014337  0.201675  0.596932  1
  Fe  Fe58  1  0.358837  0.388528  0.580825  1
  Fe  Fe59  1  0.519434  0.709402  0.600009  1
  Fe  Fe60  1  0.670128  0.013277  0.612873  1
  Fe  Fe61  1  0.672248  0.519040  0.614741  1
  Fe  Fe62  1  0.355899  0.884456  0.580388  1
  Fe  Fe63  1  0.515764  0.201682  0.596932  1
  Fe  Fe64  1  0.640269  0.462130  0.664324  1
  Fe  Fe65  1  0.334110  0.842482  0.633810  1
  Fe  Fe66  1  0.485465  0.139346  0.646382  1
  Fe  Fe67  1  0.829568  0.331801  0.630153  1
  Fe  Fe68  1  0.987663  0.650728  0.648341  1
  Fe  Fe69  1  0.150582  0.974923  0.667476  1
  Fe  Fe70  1  0.146511  0.462135  0.664339  1
  Fe  Fe71  1  0.836248  0.842859  0.633803  1
  Fe  Fe72  1  0.978820  0.139034  0.646385  1
  Fe  Fe73  1  0.104178  0.386478  0.714252  1
  Fe  Fe74  1  0.800857  0.776963  0.683471  1
  Fe  Fe75  1  0.964263  0.108759  0.703544  1
  Fe  Fe76  1  0.296181  0.268793  0.678472  1
  Fe  Fe77  1  0.456006  0.588239  0.700813  1
  Fe  Fe78  1  0.615974  0.909120  0.717529  1
  Fe  Fe79  1  0.604919  0.386401  0.714241  1
  Fe  Fe80  1  0.299531  0.776937  0.683467  1
  Fe  Fe81  1  0.468554  0.108766  0.703528  1
  Ni  Ni82  1  0.024248  0.707792  0.280161  1
  Ni  Ni83  1  0.187612  0.035259  0.297464  1
  Ni  Ni84  1  0.343797  0.347905  0.316520  1
  Ni  Ni85  1  0.496488  0.654929  0.326901  1
  Ni  Ni86  1  0.655110  0.971400  0.345997  1
  Ni  Ni87  1  0.813657  0.290816  0.364846  1
  Ni  Ni88  1  0.970975  0.605760  0.382137  1
  Ni  Ni89  1  0.125296  0.915832  0.395953  1
  Ni  Ni90  1  0.283572  0.232736  0.414210  1
  Ni  Ni91  1  0.442515  0.551027  0.431389  1
  Ni  Ni92  1  0.599168  0.864770  0.447800  1
  Ni  Ni93  1  0.755913  0.179116  0.463806  1
  Ni  Ni94  1  0.913866  0.495534  0.481162  1
  Ni  Ni95  1  0.071410  0.810967  0.497552  1
  Ni  Ni96  1  0.228954  0.126401  0.513942  1
  Ni  Ni97  1  0.386907  0.442819  0.531297  1
  Ni  Ni98  1  0.543652  0.757164  0.547304  1
  Ni  Ni99  1  0.700305  0.070907  0.563714  1
  Ni  Ni100  1  0.859248  0.389199  0.580894  1
  Ni  Ni101  1  0.017524  0.706103  0.599151  1
  Ni  Ni102  1  0.171845  0.016175  0.612966  1
  Ni  Ni103  1  0.329163  0.331118  0.630258  1
  Ni  Ni104  1  0.487710  0.650535  0.649107  1
  Ni  Ni105  1  0.646332  0.967006  0.668203  1
  Ni  Ni106  1  0.799023  0.274030  0.678583  1
  Ni  Ni107  1  0.955208  0.586676  0.697640  1
  Ni  Ni108  1  0.118572  0.914143  0.714942  1
