# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91235547
_cell_length_b   4.26457811
_cell_length_c   46.90649963
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.28782357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe33 Ni33'
_cell_volume   1555.17710951
_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  0.705040  0.324114  0.281197  1
  Fe  Fe2  1  0.019674  0.217667  0.295196  1
  Fe  Fe3  1  0.331369  0.111092  0.309525  1
  Fe  Fe4  1  0.642508  0.998248  0.323633  1
  Fe  Fe5  1  0.952806  0.893148  0.337000  1
  Fe  Fe6  1  0.263353  0.785986  0.350909  1
  Fe  Fe7  1  0.574178  0.678148  0.364880  1
  Fe  Fe8  1  0.884728  0.571960  0.378621  1
  Fe  Fe9  1  0.195340  0.464798  0.392565  1
  Fe  Fe10  1  0.506140  0.357502  0.406533  1
  Fe  Fe11  1  0.817019  0.250661  0.420412  1
  Fe  Fe12  1  0.127606  0.143466  0.434292  1
  Fe  Fe13  1  0.438311  0.036220  0.448212  1
  Fe  Fe14  1  0.749088  0.929207  0.462098  1
  Fe  Fe15  1  0.059752  0.822119  0.475986  1
  Fe  Fe16  1  0.370447  0.714929  0.489898  1
  Fe  Fe17  1  0.681181  0.607899  0.503792  1
  Fe  Fe18  1  0.991908  0.500809  0.517692  1
  Fe  Fe19  1  0.302575  0.393610  0.531595  1
  Fe  Fe20  1  0.613277  0.286559  0.545473  1
  Fe  Fe21  1  0.924061  0.179485  0.559377  1
  Fe  Fe22  1  0.234725  0.072197  0.573299  1
  Fe  Fe23  1  0.545421  0.965194  0.587182  1
  Fe  Fe24  1  0.856280  0.858301  0.601078  1
  Fe  Fe25  1  0.166968  0.751015  0.615058  1
  Fe  Fe26  1  0.477255  0.644364  0.628882  1
  Fe  Fe27  1  0.788078  0.537013  0.642604  1
  Fe  Fe28  1  0.099365  0.428622  0.656621  1
  Fe  Fe29  1  0.410068  0.322815  0.670436  1
  Fe  Fe30  1  0.720058  0.216659  0.684137  1
  Fe  Fe31  1  0.029396  0.103769  0.698747  1
  Fe  Fe32  1  0.344092  0.997738  0.712442  1
  Fe  Fe33  1  0.659856  0.888451  0.726051  1
  Ni  Ni34  1  0.551899  0.876713  0.275844  1
  Ni  Ni35  1  0.861991  0.770604  0.288797  1
  Ni  Ni36  1  0.176225  0.664477  0.302402  1
  Ni  Ni37  1  0.486875  0.552832  0.316250  1
  Ni  Ni38  1  0.797118  0.445571  0.329817  1
  Ni  Ni39  1  0.107592  0.340807  0.343778  1
  Ni  Ni40  1  0.418415  0.232292  0.357904  1
  Ni  Ni41  1  0.729639  0.125615  0.371846  1
  Ni  Ni42  1  0.040291  0.018615  0.385615  1
  Ni  Ni43  1  0.350835  0.911023  0.399580  1
  Ni  Ni44  1  0.661600  0.804010  0.413479  1
  Ni  Ni45  1  0.972276  0.697076  0.427315  1
  Ni  Ni46  1  0.282921  0.589775  0.441248  1
  Ni  Ni47  1  0.593682  0.482695  0.455156  1
  Ni  Ni48  1  0.904425  0.375750  0.469042  1
  Ni  Ni49  1  0.215098  0.268513  0.482947  1
  Ni  Ni50  1  0.525813  0.161382  0.496845  1
  Ni  Ni51  1  0.836552  0.054378  0.510736  1
  Ni  Ni52  1  0.147248  0.947178  0.524643  1
  Ni  Ni53  1  0.457942  0.840055  0.538544  1
  Ni  Ni54  1  0.768696  0.733114  0.552429  1
  Ni  Ni55  1  0.079406  0.625900  0.566353  1
  Ni  Ni56  1  0.390009  0.518653  0.580241  1
  Ni  Ni57  1  0.700699  0.411776  0.594074  1
  Ni  Ni58  1  0.011502  0.304459  0.608029  1
  Ni  Ni59  1  0.322215  0.197041  0.621956  1
  Ni  Ni60  1  0.633228  0.090724  0.635796  1
  Ni  Ni61  1  0.943997  0.982834  0.649817  1
  Ni  Ni62  1  0.253758  0.876568  0.663939  1
  Ni  Ni63  1  0.564378  0.770942  0.677445  1
  Ni  Ni64  1  0.876486  0.658153  0.690836  1
  Ni  Ni65  1  0.189004  0.550479  0.704905  1
  Ni  Ni66  1  0.500274  0.444764  0.718539  1
