# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81040781
_cell_length_b   4.18153273
_cell_length_c   46.26715365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.22384726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe33 Ni33'
_cell_volume   1484.41366369
_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  0.550929  0.859760  0.274050  1
  Fe  Fe2  1  0.867083  0.748934  0.287368  1
  Fe  Fe3  1  0.181249  0.639429  0.300793  1
  Fe  Fe4  1  0.489522  0.527155  0.315686  1
  Fe  Fe5  1  0.800809  0.418176  0.329602  1
  Fe  Fe6  1  0.110826  0.310811  0.343479  1
  Fe  Fe7  1  0.422327  0.200718  0.357482  1
  Fe  Fe8  1  0.733577  0.092311  0.371193  1
  Fe  Fe9  1  0.043919  0.983868  0.384993  1
  Fe  Fe10  1  0.354706  0.874953  0.398929  1
  Fe  Fe11  1  0.665654  0.766708  0.412838  1
  Fe  Fe12  1  0.976538  0.658226  0.426728  1
  Fe  Fe13  1  0.287411  0.549451  0.440621  1
  Fe  Fe14  1  0.598323  0.440829  0.454509  1
  Fe  Fe15  1  0.909179  0.332219  0.468377  1
  Fe  Fe16  1  0.219995  0.223554  0.482255  1
  Fe  Fe17  1  0.530861  0.114952  0.496141  1
  Fe  Fe18  1  0.841751  0.006382  0.510030  1
  Fe  Fe19  1  0.152606  0.897735  0.523922  1
  Fe  Fe20  1  0.463449  0.789130  0.537801  1
  Fe  Fe21  1  0.774355  0.680606  0.551685  1
  Fe  Fe22  1  0.085207  0.571892  0.565579  1
  Fe  Fe23  1  0.395958  0.463139  0.579441  1
  Fe  Fe24  1  0.706884  0.354800  0.593303  1
  Fe  Fe25  1  0.017998  0.245942  0.607233  1
  Fe  Fe26  1  0.328690  0.137075  0.621162  1
  Fe  Fe27  1  0.639311  0.029556  0.634944  1
  Fe  Fe28  1  0.950668  0.920617  0.648924  1
  Fe  Fe29  1  0.260582  0.811700  0.662891  1
  Fe  Fe30  1  0.571645  0.702234  0.676312  1
  Fe  Fe31  1  0.883447  0.588668  0.690561  1
  Fe  Fe32  1  0.193713  0.481272  0.705030  1
  Fe  Fe33  1  0.508905  0.373510  0.718775  1
  Ni  Ni34  1  0.709620  0.302900  0.280993  1
  Ni  Ni35  1  0.023057  0.193721  0.294623  1
  Ni  Ni36  1  0.333617  0.085280  0.308908  1
  Ni  Ni37  1  0.645784  0.971995  0.322738  1
  Ni  Ni38  1  0.956630  0.863565  0.336220  1
  Ni  Ni39  1  0.266372  0.755308  0.350243  1
  Ni  Ni40  1  0.577650  0.646522  0.364248  1
  Ni  Ni41  1  0.888488  0.538553  0.378144  1
  Ni  Ni42  1  0.199289  0.429637  0.392038  1
  Ni  Ni43  1  0.510394  0.320840  0.405943  1
  Ni  Ni44  1  0.821212  0.212410  0.419783  1
  Ni  Ni45  1  0.131962  0.103750  0.433644  1
  Ni  Ni46  1  0.442818  0.995086  0.447544  1
  Ni  Ni47  1  0.753714  0.886541  0.461434  1
  Ni  Ni48  1  0.064580  0.777918  0.475323  1
  Ni  Ni49  1  0.375433  0.669269  0.489209  1
  Ni  Ni50  1  0.686323  0.560685  0.503093  1
  Ni  Ni51  1  0.997185  0.452061  0.516975  1
  Ni  Ni52  1  0.308008  0.343401  0.530853  1
  Ni  Ni53  1  0.618884  0.234852  0.544731  1
  Ni  Ni54  1  0.929801  0.126248  0.558629  1
  Ni  Ni55  1  0.240651  0.017477  0.572528  1
  Ni  Ni56  1  0.551435  0.908993  0.586385  1
  Ni  Ni57  1  0.862429  0.800559  0.600287  1
  Ni  Ni58  1  0.173214  0.691557  0.614206  1
  Ni  Ni59  1  0.483641  0.583125  0.627993  1
  Ni  Ni60  1  0.795238  0.475084  0.641817  1
  Ni  Ni61  1  0.106408  0.365575  0.655888  1
  Ni  Ni62  1  0.416354  0.257334  0.669847  1
  Ni  Ni63  1  0.727276  0.148114  0.683489  1
  Ni  Ni64  1  0.036452  0.036352  0.698033  1
  Ni  Ni65  1  0.350767  0.928244  0.711483  1
  Ni  Ni66  1  0.663202  0.820920  0.724256  1
