# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21086457
_cell_length_b   4.24062670
_cell_length_c   47.72551715
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.80270383
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe33 Ni33'
_cell_volume   1630.13205237
_cell_formula_units_Z   33
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  0.701636  0.438702  0.301935  1
  Fe  Fe2  1  0.073807  0.656198  0.276043  1
  Fe  Fe3  1  0.384777  0.547961  0.288921  1
  Fe  Fe4  1  0.634162  0.090397  0.343136  1
  Fe  Fe5  1  0.012658  0.319494  0.315823  1
  Fe  Fe6  1  0.323316  0.206014  0.329215  1
  Fe  Fe7  1  0.569991  0.736547  0.385260  1
  Fe  Fe8  1  0.945539  0.971549  0.357523  1
  Fe  Fe9  1  0.258648  0.853519  0.371559  1
  Fe  Fe10  1  0.504921  0.384857  0.426857  1
  Fe  Fe11  1  0.881681  0.618936  0.399156  1
  Fe  Fe12  1  0.193532  0.501825  0.413017  1
  Fe  Fe13  1  0.440173  0.032456  0.468656  1
  Fe  Fe14  1  0.816527  0.267306  0.440787  1
  Fe  Fe15  1  0.128379  0.149828  0.454743  1
  Fe  Fe16  1  0.375237  0.680433  0.510319  1
  Fe  Fe17  1  0.751799  0.915070  0.482526  1
  Fe  Fe18  1  0.063509  0.797749  0.496421  1
  Fe  Fe19  1  0.310466  0.328230  0.552054  1
  Fe  Fe20  1  0.686887  0.563038  0.524206  1
  Fe  Fe21  1  0.998605  0.445662  0.538106  1
  Fe  Fe22  1  0.245275  0.976617  0.593684  1
  Fe  Fe23  1  0.622116  0.210752  0.565982  1
  Fe  Fe24  1  0.933499  0.093631  0.579817  1
  Fe  Fe25  1  0.181206  0.624272  0.635319  1
  Fe  Fe26  1  0.557043  0.858960  0.607571  1
  Fe  Fe27  1  0.868827  0.741433  0.621415  1
  Fe  Fe28  1  0.113829  0.276059  0.676794  1
  Fe  Fe29  1  0.493082  0.505233  0.649652  1
  Fe  Fe30  1  0.802927  0.389055  0.663705  1
  Fe  Fe31  1  0.053830  0.925689  0.717744  1
  Fe  Fe32  1  0.427476  0.155877  0.690579  1
  Fe  Fe33  1  0.741171  0.042503  0.704129  1
  Ni  Ni34  1  0.543907  0.995138  0.294520  1
  Ni  Ni35  1  0.854725  0.882565  0.308984  1
  Ni  Ni36  1  0.230464  0.103534  0.280989  1
  Ni  Ni37  1  0.479263  0.648803  0.336686  1
  Ni  Ni38  1  0.790489  0.530909  0.350517  1
  Ni  Ni39  1  0.167172  0.764794  0.323486  1
  Ni  Ni40  1  0.414216  0.294781  0.378100  1
  Ni  Ni41  1  0.725314  0.177854  0.392075  1
  Ni  Ni42  1  0.102686  0.411713  0.364372  1
  Ni  Ni43  1  0.349303  0.943523  0.420049  1
  Ni  Ni44  1  0.660812  0.826115  0.433881  1
  Ni  Ni45  1  0.037368  0.060531  0.406115  1
  Ni  Ni46  1  0.284317  0.591073  0.461673  1
  Ni  Ni47  1  0.595936  0.473735  0.475550  1
  Ni  Ni48  1  0.972570  0.708497  0.447776  1
  Ni  Ni49  1  0.219395  0.239110  0.503389  1
  Ni  Ni50  1  0.531109  0.121770  0.517299  1
  Ni  Ni51  1  0.907609  0.356407  0.489458  1
  Ni  Ni52  1  0.154447  0.886993  0.545063  1
  Ni  Ni53  1  0.466200  0.769458  0.558962  1
  Ni  Ni54  1  0.842710  0.004388  0.531171  1
  Ni  Ni55  1  0.089593  0.534995  0.586731  1
  Ni  Ni56  1  0.401644  0.417710  0.600755  1
  Ni  Ni57  1  0.777815  0.652044  0.572840  1
  Ni  Ni58  1  0.023985  0.183544  0.628444  1
  Ni  Ni59  1  0.336387  0.064999  0.642309  1
  Ni  Ni60  1  0.712990  0.300477  0.614734  1
  Ni  Ni61  1  0.960249  0.830613  0.669762  1
  Ni  Ni62  1  0.272381  0.714716  0.683903  1
  Ni  Ni63  1  0.648404  0.945830  0.656088  1
  Ni  Ni64  1  0.896217  0.482808  0.712113  1
  Ni  Ni65  1  0.209175  0.362658  0.724753  1
  Ni  Ni66  1  0.581601  0.598777  0.698604  1
