# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48987261
_cell_length_b   7.86835259
_cell_length_c   47.18851932
_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   'Fe42 Ni14'
_cell_volume   1295.7754218
_cell_formula_units_Z   14
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  0.502735  0.376116  0.290002  1
  Fe  Fe2  1  0.502735  0.772240  0.324109  1
  Fe  Fe3  1  1.002735  0.273383  0.324191  1
  Fe  Fe4  1  1.002735  0.878370  0.290454  1
  Fe  Fe5  1  0.502735  0.676704  0.273119  1
  Fe  Fe6  1  0.502735  0.074507  0.307238  1
  Fe  Fe7  1  0.502735  0.173227  0.357325  1
  Fe  Fe8  1  0.502735  0.573423  0.390513  1
  Fe  Fe9  1  1.002735  0.073317  0.390531  1
  Fe  Fe10  1  1.002735  0.672923  0.357173  1
  Fe  Fe11  1  0.502735  0.473335  0.340465  1
  Fe  Fe12  1  0.502735  0.873318  0.373878  1
  Fe  Fe13  1  0.502735  0.973436  0.423843  1
  Fe  Fe14  1  0.502735  0.373581  0.457187  1
  Fe  Fe15  1  1.002735  0.873535  0.457159  1
  Fe  Fe16  1  1.002735  0.473534  0.423881  1
  Fe  Fe17  1  0.502735  0.273454  0.407235  1
  Fe  Fe18  1  0.502735  0.673522  0.440511  1
  Fe  Fe19  1  0.502735  0.773670  0.490489  1
  Fe  Fe20  1  0.502735  0.173740  0.523783  1
  Fe  Fe21  1  1.002735  0.673811  0.523819  1
  Fe  Fe22  1  1.002735  0.273658  0.490482  1
  Fe  Fe23  1  0.502735  0.073581  0.473819  1
  Fe  Fe24  1  0.502735  0.473751  0.507150  1
  Fe  Fe25  1  0.502735  0.573915  0.557126  1
  Fe  Fe26  1  0.502735  0.973942  0.590452  1
  Fe  Fe27  1  1.002735  0.473961  0.590406  1
  Fe  Fe28  1  1.002735  0.073817  0.557096  1
  Fe  Fe29  1  0.502735  0.873817  0.540468  1
  Fe  Fe30  1  0.502735  0.273845  0.573735  1
  Fe  Fe31  1  0.502735  0.373952  0.623651  1
  Fe  Fe32  1  0.502735  0.774319  0.657089  1
  Fe  Fe33  1  1.002735  0.273931  0.656935  1
  Fe  Fe34  1  1.002735  0.874309  0.623846  1
  Fe  Fe35  1  0.502735  0.674154  0.607107  1
  Fe  Fe36  1  0.502735  0.073913  0.640441  1
  Fe  Fe37  1  0.502735  0.174452  0.690391  1
  Fe  Fe38  1  0.502735  0.563213  0.724644  1
  Fe  Fe39  1  1.002735  0.072716  0.724512  1
  Fe  Fe40  1  1.002735  0.671863  0.690236  1
  Fe  Fe41  1  0.502735  0.474274  0.673459  1
  Fe  Fe42  1  0.502735  0.869475  0.707260  1
  Ni  Ni43  1  1.002735  0.574260  0.306914  1
  Ni  Ni44  1  1.002735  0.177513  0.274552  1
  Ni  Ni45  1  1.002735  0.373481  0.373948  1
  Ni  Ni46  1  1.002735  0.973189  0.340490  1
  Ni  Ni47  1  1.002735  0.173497  0.440515  1
  Ni  Ni48  1  1.002735  0.773347  0.407179  1
  Ni  Ni49  1  1.002735  0.973687  0.507134  1
  Ni  Ni50  1  1.002735  0.573653  0.473841  1
  Ni  Ni51  1  1.002735  0.774001  0.573809  1
  Ni  Ni52  1  1.002735  0.373817  0.540446  1
  Ni  Ni53  1  1.002735  0.574224  0.640364  1
  Ni  Ni54  1  1.002735  0.173882  0.607045  1
  Ni  Ni55  1  1.002735  0.370472  0.706798  1
  Ni  Ni56  1  1.002735  0.974441  0.674002  1
