# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48455814
_cell_length_b   12.70551190
_cell_length_c   46.83885024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe63 Ni21'
_cell_volume   2073.70086315
_cell_formula_units_Z   21
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  0.503502  0.409266  0.305393  1
  Fe  Fe2  1  0.503502  0.022353  0.326912  1
  Fe  Fe3  1  0.503502  0.799040  0.284558  1
  Fe  Fe4  1  1.003502  0.330742  0.337569  1
  Fe  Fe5  1  1.003502  0.101140  0.294815  1
  Fe  Fe6  1  1.003502  0.717403  0.316889  1
  Fe  Fe7  1  0.503502  0.601780  0.294798  1
  Fe  Fe8  1  0.503502  0.216831  0.316613  1
  Fe  Fe9  1  0.503502  0.830678  0.337680  1
  Fe  Fe10  1  0.503502  0.253653  0.368585  1
  Fe  Fe11  1  0.503502  0.869322  0.389518  1
  Fe  Fe12  1  0.503502  0.638310  0.347546  1
  Fe  Fe13  1  1.003502  0.176946  0.399643  1
  Fe  Fe14  1  1.003502  0.946099  0.358303  1
  Fe  Fe15  1  1.003502  0.561426  0.378757  1
  Fe  Fe16  1  0.503502  0.446306  0.357952  1
  Fe  Fe17  1  0.503502  0.061678  0.378909  1
  Fe  Fe18  1  0.503502  0.676860  0.399727  1
  Fe  Fe19  1  0.503502  0.100264  0.430981  1
  Fe  Fe20  1  0.503502  0.715604  0.451809  1
  Fe  Fe21  1  0.503502  0.484748  0.410093  1
  Fe  Fe22  1  1.003502  0.023426  0.462283  1
  Fe  Fe23  1  1.003502  0.792464  0.420653  1
  Fe  Fe24  1  1.003502  0.407908  0.441383  1
  Fe  Fe25  1  0.503502  0.292426  0.420562  1
  Fe  Fe26  1  0.503502  0.907987  0.441489  1
  Fe  Fe27  1  0.503502  0.523349  0.462176  1
  Fe  Fe28  1  0.503502  0.946583  0.493521  1
  Fe  Fe29  1  0.503502  0.561976  0.514238  1
  Fe  Fe30  1  0.503502  0.331053  0.472611  1
  Fe  Fe31  1  1.003502  0.869756  0.524735  1
  Fe  Fe32  1  1.003502  0.638786  0.483010  1
  Fe  Fe33  1  1.003502  0.254249  0.503855  1
  Fe  Fe34  1  0.503502  0.138836  0.483060  1
  Fe  Fe35  1  0.503502  0.754260  0.503876  1
  Fe  Fe36  1  0.503502  0.369675  0.524660  1
  Fe  Fe37  1  0.503502  0.792918  0.555934  1
  Fe  Fe38  1  0.503502  0.408272  0.576698  1
  Fe  Fe39  1  0.503502  0.177452  0.535128  1
  Fe  Fe40  1  1.003502  0.716092  0.587152  1
  Fe  Fe41  1  1.003502  0.485127  0.545460  1
  Fe  Fe42  1  1.003502  0.100651  0.566411  1
  Fe  Fe43  1  0.503502  0.985234  0.545581  1
  Fe  Fe44  1  0.503502  0.600618  0.566288  1
  Fe  Fe45  1  0.503502  0.216042  0.587194  1
  Fe  Fe46  1  0.503502  0.639267  0.618326  1
  Fe  Fe47  1  0.503502  0.254799  0.639189  1
  Fe  Fe48  1  0.503502  0.023834  0.597686  1
  Fe  Fe49  1  1.003502  0.562444  0.649496  1
  Fe  Fe50  1  1.003502  0.331487  0.607991  1
  Fe  Fe51  1  1.003502  0.947152  0.628866  1
  Fe  Fe52  1  0.503502  0.831494  0.607969  1
  Fe  Fe53  1  0.503502  0.446844  0.628675  1
  Fe  Fe54  1  0.503502  0.062225  0.649903  1
  Fe  Fe55  1  0.503502  0.485128  0.680542  1
  Fe  Fe56  1  0.503502  0.098687  0.702689  1
  Fe  Fe57  1  0.503502  0.870616  0.659825  1
  Fe  Fe58  1  1.003502  0.408437  0.712742  1
  Fe  Fe59  1  1.003502  0.177383  0.670241  1
  Fe  Fe60  1  1.003502  0.790039  0.691307  1
  Fe  Fe61  1  0.503502  0.677426  0.670422  1
  Fe  Fe62  1  0.503502  0.291753  0.691264  1
  Fe  Fe63  1  0.503502  0.906030  0.712888  1
  Ni  Ni64  1  1.003502  0.523370  0.326511  1
  Ni  Ni65  1  1.003502  0.293504  0.285910  1
  Ni  Ni66  1  1.003502  0.909355  0.306417  1
  Ni  Ni67  1  1.003502  0.369404  0.389368  1
  Ni  Ni68  1  1.003502  0.138153  0.347358  1
  Ni  Ni69  1  1.003502  0.753692  0.368647  1
  Ni  Ni70  1  1.003502  0.215614  0.451780  1
  Ni  Ni71  1  1.003502  0.984844  0.410256  1
  Ni  Ni72  1  1.003502  0.600118  0.430920  1
  Ni  Ni73  1  1.003502  0.062035  0.514334  1
  Ni  Ni74  1  1.003502  0.831108  0.472684  1
  Ni  Ni75  1  1.003502  0.446517  0.493421  1
  Ni  Ni76  1  1.003502  0.908418  0.576794  1
  Ni  Ni77  1  1.003502  0.677438  0.535082  1
  Ni  Ni78  1  1.003502  0.292859  0.555921  1
  Ni  Ni79  1  1.003502  0.754708  0.639259  1
  Ni  Ni80  1  1.003502  0.523769  0.597483  1
  Ni  Ni81  1  1.003502  0.139209  0.618503  1
  Ni  Ni82  1  1.003502  0.598553  0.701271  1
  Ni  Ni83  1  1.003502  0.370359  0.660121  1
  Ni  Ni84  1  1.003502  0.984018  0.681129  1
