# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85160781
_cell_length_b   7.85009615
_cell_length_c   45.82940567
_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   2767.66432802
_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  0.902946  0.903067  0.315053  1
  Fe  Fe2  1  0.405684  0.405828  0.316211  1
  Fe  Fe3  1  0.498664  0.999372  0.284841  1
  Fe  Fe4  1  0.999040  0.499008  0.284846  1
  Fe  Fe5  1  0.864655  0.613754  0.332598  1
  Fe  Fe6  1  0.364063  0.114053  0.332476  1
  Fe  Fe7  1  0.451068  0.700540  0.300641  1
  Fe  Fe8  1  0.949514  0.200388  0.300448  1
  Fe  Fe9  1  0.613587  0.864823  0.332591  1
  Fe  Fe10  1  0.113871  0.364247  0.332478  1
  Fe  Fe11  1  0.200172  0.949730  0.300446  1
  Fe  Fe12  1  0.700328  0.451291  0.300642  1
  Fe  Fe13  1  0.738600  0.738737  0.379159  1
  Fe  Fe14  1  0.238196  0.238325  0.379054  1
  Fe  Fe15  1  0.322998  0.823086  0.347928  1
  Fe  Fe16  1  0.822916  0.323162  0.347929  1
  Fe  Fe17  1  0.697272  0.447439  0.394734  1
  Fe  Fe18  1  0.196909  0.947637  0.394508  1
  Fe  Fe19  1  0.280574  0.530551  0.363611  1
  Fe  Fe20  1  0.781003  0.030343  0.363290  1
  Fe  Fe21  1  0.447313  0.697398  0.394734  1
  Fe  Fe22  1  0.947515  0.197027  0.394508  1
  Fe  Fe23  1  0.030215  0.781140  0.363292  1
  Fe  Fe24  1  0.530413  0.280712  0.363610  1
  Fe  Fe25  1  0.572354  0.572443  0.441583  1
  Fe  Fe26  1  0.072348  0.072434  0.441473  1
  Fe  Fe27  1  0.155582  0.656122  0.410335  1
  Fe  Fe28  1  0.656012  0.155690  0.410333  1
  Fe  Fe29  1  0.530843  0.280760  0.457192  1
  Fe  Fe30  1  0.030677  0.780930  0.457185  1
  Fe  Fe31  1  0.113956  0.364064  0.425927  1
  Fe  Fe32  1  0.614099  0.864060  0.426004  1
  Fe  Fe33  1  0.280685  0.530919  0.457193  1
  Fe  Fe34  1  0.780853  0.030754  0.457184  1
  Fe  Fe35  1  0.863959  0.614201  0.426004  1
  Fe  Fe36  1  0.363968  0.114052  0.425927  1
  Fe  Fe37  1  0.405862  0.405905  0.504052  1
  Fe  Fe38  1  0.905862  0.905905  0.504057  1
  Fe  Fe39  1  0.989115  0.489191  0.472813  1
  Fe  Fe40  1  0.489126  0.989180  0.472813  1
  Fe  Fe41  1  0.364267  0.114232  0.519657  1
  Fe  Fe42  1  0.864218  0.614294  0.519691  1
  Fe  Fe43  1  0.947515  0.197511  0.488397  1
  Fe  Fe44  1  0.447455  0.697582  0.488427  1
  Fe  Fe45  1  0.114201  0.364298  0.519657  1
  Fe  Fe46  1  0.614262  0.864250  0.519691  1
  Fe  Fe47  1  0.697528  0.447509  0.488427  1
  Fe  Fe48  1  0.197458  0.947569  0.488397  1
  Fe  Fe49  1  0.239365  0.239361  0.566471  1
  Fe  Fe50  1  0.739365  0.739364  0.566589  1
  Fe  Fe51  1  0.822637  0.322620  0.535285  1
  Fe  Fe52  1  0.322600  0.822657  0.535285  1
  Fe  Fe53  1  0.197627  0.947752  0.582122  1
  Fe  Fe54  1  0.697836  0.447634  0.582182  1
  Fe  Fe55  1  0.781062  0.030918  0.550934  1
  Fe  Fe56  1  0.280886  0.531091  0.550915  1
  Fe  Fe57  1  0.947766  0.197612  0.582121  1
  Fe  Fe58  1  0.447646  0.697824  0.582183  1
  Fe  Fe59  1  0.531081  0.280895  0.550915  1
  Fe  Fe60  1  0.030909  0.781072  0.550935  1
  Fe  Fe61  1  0.072744  0.072698  0.629010  1
  Fe  Fe62  1  0.573024  0.572982  0.628997  1
  Fe  Fe63  1  0.656225  0.155785  0.597815  1
  Fe  Fe64  1  0.155810  0.656201  0.597816  1
  Fe  Fe65  1  0.031053  0.781084  0.644845  1
  Fe  Fe66  1  0.531425  0.280985  0.644526  1
  Fe  Fe67  1  0.614779  0.864125  0.613497  1
  Fe  Fe68  1  0.114584  0.364283  0.613286  1
  Fe  Fe69  1  0.781141  0.030997  0.644845  1
  Fe  Fe70  1  0.281048  0.531367  0.644527  1
  Fe  Fe71  1  0.364321  0.114545  0.613286  1
  Fe  Fe72  1  0.864159  0.614744  0.613497  1
  Fe  Fe73  1  0.904661  0.904566  0.692065  1
  Fe  Fe74  1  0.403894  0.403798  0.691281  1
  Fe  Fe75  1  0.490329  0.990586  0.659928  1
  Fe  Fe76  1  0.990661  0.490253  0.659927  1
  Fe  Fe77  1  0.861161  0.609699  0.707683  1
  Fe  Fe78  1  0.361022  0.110869  0.707496  1
  Fe  Fe79  1  0.446641  0.698049  0.675720  1
  Fe  Fe80  1  0.946526  0.198101  0.675886  1
  Fe  Fe81  1  0.609853  0.861040  0.707686  1
  Fe  Fe82  1  0.111008  0.360876  0.707498  1
  Fe  Fe83  1  0.198163  0.946456  0.675888  1
  Fe  Fe84  1  0.698115  0.446562  0.675715  1
  Ni  Ni85  1  0.571396  0.571564  0.347821  1
  Ni  Ni86  1  0.242058  0.242366  0.285796  1
  Ni  Ni87  1  0.159864  0.656746  0.316931  1
  Ni  Ni88  1  0.656592  0.160016  0.316930  1
  Ni  Ni89  1  0.405496  0.405605  0.410365  1
  Ni  Ni90  1  0.070972  0.071135  0.347126  1
  Ni  Ni91  1  0.988930  0.489578  0.379184  1
  Ni  Ni92  1  0.489448  0.989060  0.379181  1
  Ni  Ni93  1  0.239107  0.239171  0.472784  1
  Ni  Ni94  1  0.905568  0.905678  0.410261  1
  Ni  Ni95  1  0.822537  0.322370  0.441529  1
  Ni  Ni96  1  0.322283  0.822625  0.441530  1
  Ni  Ni97  1  0.072599  0.072619  0.535258  1
  Ni  Ni98  1  0.739115  0.739181  0.472843  1
  Ni  Ni99  1  0.655926  0.155858  0.504054  1
  Ni  Ni100  1  0.155816  0.655968  0.504055  1
  Ni  Ni101  1  0.906129  0.906105  0.597857  1
  Ni  Ni102  1  0.572608  0.572629  0.535313  1
  Ni  Ni103  1  0.489455  0.989246  0.566542  1
  Ni  Ni104  1  0.989248  0.489453  0.566542  1
  Ni  Ni105  1  0.739303  0.739230  0.660760  1
  Ni  Ni106  1  0.406166  0.406142  0.597726  1
  Ni  Ni107  1  0.322429  0.823219  0.629020  1
  Ni  Ni108  1  0.823264  0.322383  0.629018  1
  Ni  Ni109  1  0.568171  0.568016  0.721403  1
  Ni  Ni110  1  0.239433  0.239358  0.660169  1
  Ni  Ni111  1  0.156361  0.652914  0.691688  1
  Ni  Ni112  1  0.653012  0.156274  0.691688  1
