# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51391493
_cell_length_b   7.93741978
_cell_length_c   47.75393928
_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   1331.92507577
_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  0.504526  0.383035  0.288711  1
  Fe  Fe2  1  0.504526  0.773619  0.323782  1
  Fe  Fe3  1  0.004526  0.274998  0.323123  1
  Fe  Fe4  1  0.004526  0.882814  0.289985  1
  Fe  Fe5  1  0.504526  0.687641  0.273919  1
  Fe  Fe6  1  0.504526  0.076669  0.306177  1
  Fe  Fe7  1  0.504526  0.175193  0.356389  1
  Fe  Fe8  1  0.504526  0.575058  0.389579  1
  Fe  Fe9  1  0.004526  0.075340  0.389762  1
  Fe  Fe10  1  0.004526  0.674678  0.356377  1
  Fe  Fe11  1  0.504526  0.474233  0.339152  1
  Fe  Fe12  1  0.504526  0.875769  0.373174  1
  Fe  Fe13  1  0.504526  0.974822  0.423109  1
  Fe  Fe14  1  0.504526  0.374603  0.456398  1
  Fe  Fe15  1  0.004526  0.874599  0.456421  1
  Fe  Fe16  1  0.004526  0.474762  0.422999  1
  Fe  Fe17  1  0.504526  0.275110  0.406357  1
  Fe  Fe18  1  0.504526  0.674551  0.439709  1
  Fe  Fe19  1  0.504526  0.774323  0.489754  1
  Fe  Fe20  1  0.504526  0.174038  0.523133  1
  Fe  Fe21  1  0.004526  0.674022  0.523097  1
  Fe  Fe22  1  0.004526  0.274333  0.489767  1
  Fe  Fe23  1  0.504526  0.074512  0.473106  1
  Fe  Fe24  1  0.504526  0.474161  0.506424  1
  Fe  Fe25  1  0.504526  0.573800  0.556440  1
  Fe  Fe26  1  0.504526  0.973635  0.589857  1
  Fe  Fe27  1  0.004526  0.473441  0.589773  1
  Fe  Fe28  1  0.004526  0.073889  0.556514  1
  Fe  Fe29  1  0.504526  0.873996  0.539795  1
  Fe  Fe30  1  0.504526  0.273620  0.573176  1
  Fe  Fe31  1  0.504526  0.373112  0.623192  1
  Fe  Fe32  1  0.504526  0.772676  0.656540  1
  Fe  Fe33  1  0.004526  0.273020  0.656797  1
  Fe  Fe34  1  0.004526  0.873203  0.623130  1
  Fe  Fe35  1  0.504526  0.673382  0.606444  1
  Fe  Fe36  1  0.504526  0.073503  0.639950  1
  Fe  Fe37  1  0.504526  0.173469  0.690124  1
  Fe  Fe38  1  0.504526  0.566295  0.722451  1
  Fe  Fe39  1  0.004526  0.067042  0.722319  1
  Fe  Fe40  1  0.004526  0.671899  0.689713  1
  Fe  Fe41  1  0.504526  0.474059  0.672967  1
  Fe  Fe42  1  0.504526  0.867332  0.706263  1
  Ni  Ni43  1  0.004526  0.577821  0.306008  1
  Ni  Ni44  1  0.004526  0.180854  0.273379  1
  Ni  Ni45  1  0.004526  0.375295  0.372925  1
  Ni  Ni46  1  0.004526  0.975634  0.339767  1
  Ni  Ni47  1  0.004526  0.174793  0.439747  1
  Ni  Ni48  1  0.004526  0.774878  0.406394  1
  Ni  Ni49  1  0.004526  0.974210  0.506455  1
  Ni  Ni50  1  0.004526  0.574425  0.473063  1
  Ni  Ni51  1  0.004526  0.773702  0.573121  1
  Ni  Ni52  1  0.004526  0.373882  0.539785  1
  Ni  Ni53  1  0.004526  0.573058  0.639738  1
  Ni  Ni54  1  0.004526  0.173493  0.606593  1
  Ni  Ni55  1  0.004526  0.369773  0.706751  1
  Ni  Ni56  1  0.004526  0.972386  0.673085  1
