# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91881410
_cell_length_b   7.91354121
_cell_length_c   46.31164372
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe84 Ni28'
_cell_volume   2843.52354125
_cell_formula_units_Z   28
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  0.932369  0.933236  0.308631  1
  Fe  Fe2  1  0.432497  0.433359  0.308593  1
  Fe  Fe3  1  0.342149  0.842726  0.340381  1
  Fe  Fe4  1  0.841851  0.343029  0.340381  1
  Fe  Fe5  1  0.887447  0.637369  0.324068  1
  Fe  Fe6  1  0.388523  0.135881  0.324251  1
  Fe  Fe7  1  0.473438  0.725608  0.293909  1
  Fe  Fe8  1  0.973307  0.226603  0.293670  1
  Fe  Fe9  1  0.636489  0.888319  0.324058  1
  Fe  Fe10  1  0.134988  0.389401  0.324257  1
  Fe  Fe11  1  0.225655  0.974240  0.293667  1
  Fe  Fe12  1  0.724692  0.474442  0.293906  1
  Fe  Fe13  1  0.761988  0.762768  0.370961  1
  Fe  Fe14  1  0.261843  0.262616  0.371048  1
  Fe  Fe15  1  0.177950  0.678740  0.402159  1
  Fe  Fe16  1  0.678024  0.178660  0.402158  1
  Fe  Fe17  1  0.719674  0.470430  0.386901  1
  Fe  Fe18  1  0.219680  0.970415  0.386820  1
  Fe  Fe19  1  0.302337  0.553275  0.354940  1
  Fe  Fe20  1  0.802528  0.053142  0.354841  1
  Fe  Fe21  1  0.469671  0.720428  0.386900  1
  Fe  Fe22  1  0.969655  0.220431  0.386819  1
  Fe  Fe23  1  0.052365  0.803349  0.354841  1
  Fe  Fe24  1  0.552502  0.303149  0.354937  1
  Fe  Fe25  1  0.594232  0.594888  0.433660  1
  Fe  Fe26  1  0.094264  0.094920  0.433613  1
  Fe  Fe27  1  0.010995  0.511594  0.464911  1
  Fe  Fe28  1  0.511004  0.011587  0.464911  1
  Fe  Fe29  1  0.552597  0.303261  0.449181  1
  Fe  Fe30  1  0.052524  0.803337  0.449168  1
  Fe  Fe31  1  0.136192  0.386983  0.417957  1
  Fe  Fe32  1  0.636314  0.886859  0.417971  1
  Fe  Fe33  1  0.302638  0.553219  0.449180  1
  Fe  Fe34  1  0.802712  0.053148  0.449167  1
  Fe  Fe35  1  0.886172  0.637002  0.417972  1
  Fe  Fe36  1  0.386304  0.136873  0.417956  1
  Fe  Fe37  1  0.427526  0.428054  0.496171  1
  Fe  Fe38  1  0.927536  0.928065  0.496174  1
  Fe  Fe39  1  0.844078  0.344534  0.527458  1
  Fe  Fe40  1  0.344068  0.844543  0.527458  1
  Fe  Fe41  1  0.385840  0.136356  0.511835  1
  Fe  Fe42  1  0.885822  0.636384  0.511844  1
  Fe  Fe43  1  0.969279  0.219739  0.480550  1
  Fe  Fe44  1  0.469242  0.719785  0.480557  1
  Fe  Fe45  1  0.135859  0.386337  0.511835  1
  Fe  Fe46  1  0.635888  0.886320  0.511844  1
  Fe  Fe47  1  0.719226  0.469802  0.480557  1
  Fe  Fe48  1  0.219179  0.969839  0.480550  1
  Fe  Fe49  1  0.260742  0.261145  0.558794  1
  Fe  Fe50  1  0.760719  0.761122  0.558826  1
  Fe  Fe51  1  0.676932  0.177221  0.590123  1
  Fe  Fe52  1  0.176877  0.677276  0.590124  1
  Fe  Fe53  1  0.218741  0.969287  0.574346  1
  Fe  Fe54  1  0.718780  0.469312  0.574347  1
  Fe  Fe55  1  0.802453  0.052714  0.543169  1
  Fe  Fe56  1  0.302393  0.552765  0.543159  1
  Fe  Fe57  1  0.968917  0.219111  0.574345  1
  Fe  Fe58  1  0.468936  0.719154  0.574347  1
  Fe  Fe59  1  0.552330  0.302828  0.543159  1
  Fe  Fe60  1  0.052280  0.802887  0.543169  1
  Fe  Fe61  1  0.094086  0.094349  0.621256  1
  Fe  Fe62  1  0.594440  0.594709  0.621247  1
  Fe  Fe63  1  0.509420  0.009984  0.652683  1
  Fe  Fe64  1  0.009757  0.509644  0.652686  1
  Fe  Fe65  1  0.052158  0.802704  0.637356  1
  Fe  Fe66  1  0.552077  0.302588  0.637254  1
  Fe  Fe67  1  0.635547  0.886081  0.605765  1
  Fe  Fe68  1  0.135384  0.386030  0.605679  1
  Fe  Fe69  1  0.802464  0.052401  0.637354  1
  Fe  Fe70  1  0.302342  0.552328  0.637256  1
  Fe  Fe71  1  0.385717  0.135693  0.605679  1
  Fe  Fe72  1  0.885771  0.635857  0.605766  1
  Fe  Fe73  1  0.929456  0.929610  0.685083  1
  Fe  Fe74  1  0.426388  0.426551  0.684815  1
  Fe  Fe75  1  0.338960  0.837785  0.713852  1
  Fe  Fe76  1  0.837701  0.339049  0.713851  1
  Fe  Fe77  1  0.882264  0.631939  0.699014  1
  Fe  Fe78  1  0.380000  0.131032  0.698917  1
  Fe  Fe79  1  0.468985  0.718538  0.667864  1
  Fe  Fe80  1  0.968372  0.218507  0.667788  1
  Fe  Fe81  1  0.631772  0.882424  0.699015  1
  Fe  Fe82  1  0.130848  0.380060  0.698924  1
  Fe  Fe83  1  0.218337  0.968544  0.667797  1
  Fe  Fe84  1  0.718376  0.469151  0.667864  1
  Ni  Ni85  1  0.595760  0.596630  0.340255  1
  Ni  Ni86  1  0.264588  0.265669  0.278501  1
  Ni  Ni87  1  0.179054  0.679415  0.307596  1
  Ni  Ni88  1  0.678564  0.179938  0.307595  1
  Ni  Ni89  1  0.427914  0.428621  0.402142  1
  Ni  Ni90  1  0.096037  0.096898  0.340061  1
  Ni  Ni91  1  0.010821  0.512098  0.371026  1
  Ni  Ni92  1  0.511314  0.011602  0.371022  1
  Ni  Ni93  1  0.260946  0.261536  0.464887  1
  Ni  Ni94  1  0.927927  0.928637  0.402093  1
  Ni  Ni95  1  0.844446  0.345028  0.433673  1
  Ni  Ni96  1  0.344373  0.845103  0.433674  1
  Ni  Ni97  1  0.094114  0.094579  0.527457  1
  Ni  Ni98  1  0.760948  0.761542  0.464907  1
  Ni  Ni99  1  0.677555  0.178034  0.496173  1
  Ni  Ni100  1  0.177506  0.678082  0.496174  1
  Ni  Ni101  1  0.927250  0.927592  0.590224  1
  Ni  Ni102  1  0.594109  0.594576  0.527462  1
  Ni  Ni103  1  0.510637  0.010958  0.558766  1
  Ni  Ni104  1  0.010555  0.511040  0.558766  1
  Ni  Ni105  1  0.761458  0.761683  0.652711  1
  Ni  Ni106  1  0.427295  0.427641  0.590188  1
  Ni  Ni107  1  0.343580  0.843759  0.621161  1
  Ni  Ni108  1  0.843488  0.343852  0.621159  1
  Ni  Ni109  1  0.592537  0.592603  0.714941  1
  Ni  Ni110  1  0.260837  0.261061  0.652484  1
  Ni  Ni111  1  0.174713  0.673871  0.684069  1
  Ni  Ni112  1  0.673722  0.174897  0.684064  1
