# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97961978
_cell_length_b   11.06329821
_cell_length_c   48.34662631
_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   2596.02445116
_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  0.077624  0.159706  0.324903  1
  Fe  Fe2  1  0.766130  0.531510  0.290639  1
  Fe  Fe3  1  0.920898  0.846599  0.308704  1
  Fe  Fe4  1  0.263625  0.029093  0.290695  1
  Fe  Fe5  1  0.420111  0.341555  0.307379  1
  Fe  Fe6  1  0.111359  0.724156  0.274110  1
  Fe  Fe7  1  0.580356  0.159713  0.324907  1
  Fe  Fe8  1  0.264273  0.531499  0.290633  1
  Fe  Fe9  1  0.424071  0.846597  0.308704  1
  Fe  Fe10  1  0.552883  0.108208  0.374756  1
  Fe  Fe11  1  0.237005  0.476169  0.340825  1
  Fe  Fe12  1  0.394412  0.791806  0.358030  1
  Fe  Fe13  1  0.737488  0.976809  0.341671  1
  Fe  Fe14  1  0.895236  0.292471  0.357840  1
  Fe  Fe15  1  0.579738  0.661054  0.324571  1
  Fe  Fe16  1  0.053134  0.108209  0.374755  1
  Fe  Fe17  1  0.737378  0.476161  0.340827  1
  Fe  Fe18  1  0.895379  0.791804  0.358029  1
  Fe  Fe19  1  0.026168  0.054962  0.424599  1
  Fe  Fe20  1  0.710518  0.423377  0.391079  1
  Fe  Fe21  1  0.868156  0.738722  0.407827  1
  Fe  Fe22  1  0.210582  0.923538  0.391272  1
  Fe  Fe23  1  0.368510  0.239541  0.407864  1
  Fe  Fe24  1  0.052552  0.607291  0.374271  1
  Fe  Fe25  1  0.526088  0.054962  0.424599  1
  Fe  Fe26  1  0.210513  0.423380  0.391079  1
  Fe  Fe27  1  0.368021  0.738723  0.407826  1
  Fe  Fe28  1  0.499222  0.001768  0.474519  1
  Fe  Fe29  1  0.183910  0.370576  0.441185  1
  Fe  Fe30  1  0.341429  0.685985  0.457824  1
  Fe  Fe31  1  0.683702  0.870286  0.441221  1
  Fe  Fe32  1  0.841595  0.186228  0.457878  1
  Fe  Fe33  1  0.525941  0.554575  0.424471  1
  Fe  Fe34  1  -0.000677  0.001768  0.474519  1
  Fe  Fe35  1  0.683809  0.370575  0.441186  1
  Fe  Fe36  1  0.841512  0.685985  0.457824  1
  Fe  Fe37  1  0.972560  0.948882  0.524527  1
  Fe  Fe38  1  0.657044  0.317452  0.491166  1
  Fe  Fe39  1  0.814864  0.633205  0.507841  1
  Fe  Fe40  1  0.157038  0.817464  0.491176  1
  Fe  Fe41  1  0.314737  0.133039  0.507836  1
  Fe  Fe42  1  -0.000689  0.501826  0.474487  1
  Fe  Fe43  1  0.472590  0.948882  0.524527  1
  Fe  Fe44  1  0.157029  0.317452  0.491166  1
  Fe  Fe45  1  0.314797  0.633204  0.507841  1
  Fe  Fe46  1  0.446020  0.896324  0.574611  1
  Fe  Fe47  1  0.130125  0.264194  0.541112  1
  Fe  Fe48  1  0.288152  0.580173  0.557775  1
  Fe  Fe49  1  0.630437  0.764756  0.541194  1
  Fe  Fe50  1  0.787999  0.080084  0.557874  1
  Fe  Fe51  1  0.472507  0.448731  0.524465  1
  Fe  Fe52  1  0.946074  0.896324  0.574611  1
  Fe  Fe53  1  0.630160  0.264194  0.541112  1
  Fe  Fe54  1  0.787972  0.580173  0.557775  1
  Fe  Fe55  1  0.919834  0.843734  0.624658  1
  Fe  Fe56  1  0.603154  0.211019  0.591149  1
  Fe  Fe57  1  0.761025  0.526706  0.607544  1
  Fe  Fe58  1  0.103785  0.711952  0.591081  1
  Fe  Fe59  1  0.261451  0.027478  0.608137  1
  Fe  Fe60  1  0.945547  0.395341  0.574352  1
  Fe  Fe61  1  0.419160  0.843733  0.624659  1
  Fe  Fe62  1  0.103437  0.211019  0.591149  1
  Fe  Fe63  1  0.261104  0.526706  0.607545  1
  Fe  Fe64  1  0.391618  0.788618  0.674356  1
  Fe  Fe65  1  0.077080  0.158503  0.641453  1
  Fe  Fe66  1  0.234482  0.473454  0.657283  1
  Fe  Fe67  1  0.576760  0.658447  0.640742  1
  Fe  Fe68  1  0.734592  0.974334  0.658304  1
  Fe  Fe69  1  0.418600  0.341948  0.624348  1
  Fe  Fe70  1  0.891648  0.788628  0.674355  1
  Fe  Fe71  1  0.576513  0.158501  0.641454  1
  Fe  Fe72  1  0.733898  0.473457  0.657282  1
  Fe  Fe73  1  0.857843  0.725318  0.724678  1
  Fe  Fe74  1  0.550900  0.106781  0.692090  1
  Fe  Fe75  1  0.707461  0.423004  0.708526  1
  Fe  Fe76  1  0.049369  0.604016  0.689696  1
  Fe  Fe77  1  0.205605  0.917063  0.708363  1
  Fe  Fe78  1  0.893354  0.291846  0.674039  1
  Fe  Fe79  1  0.362067  0.725350  0.724681  1
  Fe  Fe80  1  0.050276  0.106813  0.692092  1
  Fe  Fe81  1  0.210607  0.423097  0.708532  1
  Ni  Ni82  1  0.763655  0.029152  0.291805  1
  Ni  Ni83  1  0.921258  0.343838  0.307750  1
  Ni  Ni84  1  0.608897  0.719215  0.275301  1
  Ni  Ni85  1  0.237645  0.977136  0.341369  1
  Ni  Ni86  1  0.395174  0.292366  0.357683  1
  Ni  Ni87  1  0.079785  0.661158  0.324055  1
  Ni  Ni88  1  0.710506  0.923379  0.391369  1
  Ni  Ni89  1  0.868470  0.239459  0.407923  1
  Ni  Ni90  1  0.552508  0.607196  0.374423  1
  Ni  Ni91  1  0.183725  0.870331  0.441181  1
  Ni  Ni92  1  0.341603  0.186245  0.457865  1
  Ni  Ni93  1  0.025954  0.554604  0.424429  1
  Ni  Ni94  1  0.657031  0.817448  0.491185  1
  Ni  Ni95  1  0.814737  0.133038  0.507830  1
  Ni  Ni96  1  0.499308  0.501821  0.474508  1
  Ni  Ni97  1  0.130431  0.764747  0.541190  1
  Ni  Ni98  1  0.287990  0.080060  0.557879  1
  Ni  Ni99  1  0.972516  0.448749  0.524461  1
  Ni  Ni100  1  0.603795  0.711979  0.591126  1
  Ni  Ni101  1  0.761477  0.027533  0.608053  1
  Ni  Ni102  1  0.445540  0.395325  0.574371  1
  Ni  Ni103  1  0.076722  0.658380  0.640713  1
  Ni  Ni104  1  0.234866  0.974887  0.658604  1
  Ni  Ni105  1  0.918658  0.342067  0.624272  1
  Ni  Ni106  1  0.549218  0.603668  0.690144  1
  Ni  Ni107  1  0.704731  0.915279  0.707975  1
  Ni  Ni108  1  0.393132  0.291431  0.674584  1
