# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97627176
_cell_length_b   7.83611781
_cell_length_c   46.79257717
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe54 Ni18'
_cell_volume   1731.02470541
_cell_formula_units_Z   18
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  0.207108  0.543979  0.319627  1
  Fe  Fe2  1  0.989561  0.102656  0.293162  1
  Fe  Fe3  1  0.383836  0.393175  0.281056  1
  Fe  Fe4  1  0.594987  0.815394  0.305517  1
  Fe  Fe5  1  0.711301  0.543974  0.319630  1
  Fe  Fe6  1  0.487851  0.102648  0.293158  1
  Fe  Fe7  1  0.652536  0.432089  0.368814  1
  Fe  Fe8  1  0.431021  0.987774  0.343337  1
  Fe  Fe9  1  0.820012  0.265677  0.331242  1
  Fe  Fe10  1  0.042907  0.711791  0.356438  1
  Fe  Fe11  1  0.153330  0.432096  0.368812  1
  Fe  Fe12  1  0.930881  0.987765  0.343338  1
  Fe  Fe13  1  0.096980  0.320677  0.418625  1
  Fe  Fe14  1  0.875337  0.877070  0.393713  1
  Fe  Fe15  1  0.263874  0.154117  0.380932  1
  Fe  Fe16  1  0.486209  0.599080  0.406205  1
  Fe  Fe17  1  0.596876  0.320677  0.418626  1
  Fe  Fe18  1  0.375269  0.877073  0.393713  1
  Fe  Fe19  1  0.540995  0.209426  0.468656  1
  Fe  Fe20  1  0.319107  0.765319  0.443696  1
  Fe  Fe21  1  0.708098  0.043135  0.431178  1
  Fe  Fe22  1  0.929972  0.487211  0.456169  1
  Fe  Fe23  1  0.041022  0.209425  0.468656  1
  Fe  Fe24  1  0.819105  0.765318  0.443696  1
  Fe  Fe25  1  0.984931  0.097880  0.518648  1
  Fe  Fe26  1  0.762966  0.653693  0.493669  1
  Fe  Fe27  1  0.152023  0.931613  0.481160  1
  Fe  Fe28  1  0.373967  0.375801  0.506157  1
  Fe  Fe29  1  0.484920  0.097880  0.518648  1
  Fe  Fe30  1  0.263006  0.653694  0.493669  1
  Fe  Fe31  1  0.428805  0.986465  0.568689  1
  Fe  Fe32  1  0.207038  0.542238  0.543665  1
  Fe  Fe33  1  0.595972  0.820120  0.531179  1
  Fe  Fe34  1  0.817778  0.264051  0.556114  1
  Fe  Fe35  1  0.929014  0.986467  0.568689  1
  Fe  Fe36  1  0.706884  0.542237  0.543665  1
  Fe  Fe37  1  0.873792  0.875987  0.618899  1
  Fe  Fe38  1  0.650551  0.430177  0.593525  1
  Fe  Fe39  1  0.040140  0.709034  0.581161  1
  Fe  Fe40  1  0.261483  0.152087  0.606263  1
  Fe  Fe41  1  0.372993  0.875982  0.618900  1
  Fe  Fe42  1  0.150684  0.430176  0.593525  1
  Fe  Fe43  1  0.316368  0.762799  0.668565  1
  Fe  Fe44  1  0.094107  0.317723  0.643423  1
  Fe  Fe45  1  0.483824  0.597029  0.630864  1
  Fe  Fe46  1  0.706181  0.042045  0.656641  1
  Fe  Fe47  1  0.816521  0.762806  0.668564  1
  Fe  Fe48  1  0.594016  0.317726  0.643423  1
  Fe  Fe49  1  0.751575  0.637394  0.718699  1
  Fe  Fe50  1  0.540761  0.210887  0.694702  1
  Fe  Fe51  1  0.927808  0.485575  0.679852  1
  Fe  Fe52  1  0.147500  0.925331  0.706659  1
  Fe  Fe53  1  0.255885  0.637460  0.718705  1
  Fe  Fe54  1  0.040034  0.210917  0.694703  1
  Ni  Ni55  1  0.879231  0.383955  0.282053  1
  Ni  Ni56  1  0.097533  0.820476  0.306134  1
  Ni  Ni57  1  0.320255  0.266183  0.330728  1
  Ni  Ni58  1  0.542777  0.711555  0.356271  1
  Ni  Ni59  1  0.763778  0.153912  0.381087  1
  Ni  Ni60  1  0.986121  0.598899  0.406249  1
  Ni  Ni61  1  0.208130  0.043203  0.431141  1
  Ni  Ni62  1  0.429999  0.487264  0.456152  1
  Ni  Ni63  1  0.652009  0.931585  0.481176  1
  Ni  Ni64  1  0.873974  0.375814  0.506158  1
  Ni  Ni65  1  0.095967  0.820111  0.531164  1
  Ni  Ni66  1  0.317755  0.264001  0.556134  1
  Ni  Ni67  1  0.540151  0.709064  0.581203  1
  Ni  Ni68  1  0.761596  0.152308  0.606144  1
  Ni  Ni69  1  0.983753  0.596901  0.630861  1
  Ni  Ni70  1  0.206426  0.042541  0.656995  1
  Ni  Ni71  1  0.427588  0.485126  0.680244  1
  Ni  Ni72  1  0.646347  0.922986  0.706179  1
