# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02208747
_cell_length_b   11.14898817
_cell_length_c   48.85747575
_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   2666.32174859
_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  0.038087  0.166286  0.320835  1
  Fe  Fe2  1  0.729617  0.539511  0.287410  1
  Fe  Fe3  1  0.886666  0.851611  0.303418  1
  Fe  Fe4  1  0.229867  0.043027  0.287712  1
  Fe  Fe5  1  0.381925  0.346963  0.303500  1
  Fe  Fe6  1  0.541607  0.666597  0.320984  1
  Fe  Fe7  1  0.544719  0.166282  0.320830  1
  Fe  Fe8  1  0.226942  0.539497  0.287399  1
  Fe  Fe9  1  0.381768  0.851627  0.303441  1
  Fe  Fe10  1  0.514963  0.113702  0.370262  1
  Fe  Fe11  1  0.198509  0.481528  0.336229  1
  Fe  Fe12  1  0.357341  0.798098  0.353616  1
  Fe  Fe13  1  0.698944  0.981322  0.336556  1
  Fe  Fe14  1  0.857795  0.299225  0.353195  1
  Fe  Fe15  1  0.014596  0.612992  0.370089  1
  Fe  Fe16  1  0.014980  0.113695  0.370266  1
  Fe  Fe17  1  0.699574  0.481523  0.336232  1
  Fe  Fe18  1  0.857057  0.798093  0.353606  1
  Fe  Fe19  1  0.988120  0.060590  0.420258  1
  Fe  Fe20  1  0.673186  0.429138  0.386820  1
  Fe  Fe21  1  0.830157  0.744740  0.403513  1
  Fe  Fe22  1  0.172652  0.929237  0.386939  1
  Fe  Fe23  1  0.330483  0.245039  0.403590  1
  Fe  Fe24  1  0.488041  0.560301  0.420252  1
  Fe  Fe25  1  0.488256  0.060589  0.420256  1
  Fe  Fe26  1  0.172038  0.429132  0.386822  1
  Fe  Fe27  1  0.330521  0.744736  0.403516  1
  Fe  Fe28  1  0.461403  0.007438  0.470283  1
  Fe  Fe29  1  0.145802  0.376147  0.436912  1
  Fe  Fe30  1  0.303654  0.691752  0.453591  1
  Fe  Fe31  1  0.645883  0.876115  0.436901  1
  Fe  Fe32  1  0.803692  0.191868  0.453585  1
  Fe  Fe33  1  0.961406  0.507445  0.470284  1
  Fe  Fe34  1  0.961403  0.007438  0.470283  1
  Fe  Fe35  1  0.645994  0.376146  0.436911  1
  Fe  Fe36  1  0.803601  0.691753  0.453591  1
  Fe  Fe37  1  0.934627  0.954401  0.520339  1
  Fe  Fe38  1  0.619223  0.323103  0.486979  1
  Fe  Fe39  1  0.776931  0.638738  0.503655  1
  Fe  Fe40  1  0.119153  0.823082  0.486965  1
  Fe  Fe41  1  0.276908  0.138734  0.503661  1
  Fe  Fe42  1  0.434675  0.454402  0.520329  1
  Fe  Fe43  1  0.434712  0.954401  0.520338  1
  Fe  Fe44  1  0.119109  0.323102  0.486980  1
  Fe  Fe45  1  0.276891  0.638739  0.503655  1
  Fe  Fe46  1  0.408045  0.901394  0.570412  1
  Fe  Fe47  1  0.092331  0.270000  0.537025  1
  Fe  Fe48  1  0.250136  0.585721  0.553709  1
  Fe  Fe49  1  0.592434  0.770067  0.537023  1
  Fe  Fe50  1  0.750142  0.085632  0.553744  1
  Fe  Fe51  1  0.907881  0.401252  0.570442  1
  Fe  Fe52  1  0.907868  0.901395  0.570413  1
  Fe  Fe53  1  0.592465  0.270001  0.537025  1
  Fe  Fe54  1  0.750250  0.585719  0.553710  1
  Fe  Fe55  1  0.880702  0.848413  0.620491  1
  Fe  Fe56  1  0.565771  0.216917  0.587082  1
  Fe  Fe57  1  0.723625  0.532563  0.603770  1
  Fe  Fe58  1  0.065785  0.717189  0.587032  1
  Fe  Fe59  1  0.223422  0.032616  0.603755  1
  Fe  Fe60  1  0.381213  0.348278  0.620283  1
  Fe  Fe61  1  0.381767  0.848426  0.620487  1
  Fe  Fe62  1  0.065542  0.216914  0.587084  1
  Fe  Fe63  1  0.223165  0.532572  0.603765  1
  Fe  Fe64  1  0.354875  0.795877  0.670978  1
  Fe  Fe65  1  0.038309  0.163758  0.637146  1
  Fe  Fe66  1  0.195839  0.479210  0.653711  1
  Fe  Fe67  1  0.539205  0.664391  0.637087  1
  Fe  Fe68  1  0.696153  0.978546  0.654186  1
  Fe  Fe69  1  0.854820  0.296141  0.671142  1
  Fe  Fe70  1  0.854727  0.795881  0.670983  1
  Fe  Fe71  1  0.539321  0.163770  0.637140  1
  Fe  Fe72  1  0.697350  0.479185  0.653729  1
  Fe  Fe73  1  0.825210  0.737040  0.719599  1
  Fe  Fe74  1  0.515365  0.111393  0.686534  1
  Fe  Fe75  1  0.668132  0.426576  0.703731  1
  Fe  Fe76  1  0.012149  0.610511  0.686197  1
  Fe  Fe77  1  0.171978  0.930631  0.703824  1
  Fe  Fe78  1  0.325107  0.237248  0.718933  1
  Fe  Fe79  1  0.325394  0.737168  0.719595  1
  Fe  Fe80  1  0.009431  0.111428  0.686548  1
  Fe  Fe81  1  0.171940  0.426818  0.703703  1
  Ni  Ni82  1  0.726192  0.035740  0.286972  1
  Ni  Ni83  1  0.883537  0.350144  0.302614  1
  Ni  Ni84  1  0.568975  0.721333  0.271316  1
  Ni  Ni85  1  0.199356  0.982233  0.336938  1
  Ni  Ni86  1  0.357347  0.298338  0.353565  1
  Ni  Ni87  1  0.042498  0.668317  0.320281  1
  Ni  Ni88  1  0.672751  0.929421  0.386853  1
  Ni  Ni89  1  0.830462  0.244996  0.403487  1
  Ni  Ni90  1  0.514385  0.612570  0.370219  1
  Ni  Ni91  1  0.145863  0.876079  0.436916  1
  Ni  Ni92  1  0.303678  0.191842  0.453621  1
  Ni  Ni93  1  0.988144  0.560504  0.420209  1
  Ni  Ni94  1  0.619151  0.823078  0.486962  1
  Ni  Ni95  1  0.776904  0.138724  0.503656  1
  Ni  Ni96  1  0.461390  0.507413  0.470289  1
  Ni  Ni97  1  0.092453  0.770109  0.537016  1
  Ni  Ni98  1  0.250167  0.085678  0.553709  1
  Ni  Ni99  1  0.934664  0.454383  0.520356  1
  Ni  Ni100  1  0.565680  0.716979  0.587074  1
  Ni  Ni101  1  0.723387  0.032546  0.603859  1
  Ni  Ni102  1  0.407938  0.401358  0.570354  1
  Ni  Ni103  1  0.039384  0.664774  0.637019  1
  Ni  Ni104  1  0.196516  0.979297  0.653776  1
  Ni  Ni105  1  0.881002  0.347880  0.620555  1
  Ni  Ni106  1  0.511582  0.609374  0.686722  1
  Ni  Ni107  1  0.669918  0.926501  0.704578  1
  Ni  Ni108  1  0.354606  0.295676  0.670147  1
