# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66437642
_cell_length_b   10.37080539
_cell_length_c   47.16738852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.22511578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe36 Ni36'
_cell_volume   1764.01194745
_cell_formula_units_Z   36
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  0.845891  0.772084  0.272939  1
  Fe  Fe2  1  0.006643  0.092774  0.284844  1
  Fe  Fe3  1  0.167193  0.413593  0.297461  1
  Fe  Fe4  1  0.328718  0.736748  0.309853  1
  Fe  Fe5  1  0.490533  0.060266  0.323326  1
  Fe  Fe6  1  0.651476  0.382010  0.335918  1
  Fe  Fe7  1  0.812662  0.704334  0.348051  1
  Fe  Fe8  1  0.974238  0.027416  0.361650  1
  Fe  Fe9  1  0.135635  0.350107  0.374258  1
  Fe  Fe10  1  0.296647  0.672051  0.386909  1
  Fe  Fe11  1  0.457900  0.994481  0.399836  1
  Fe  Fe12  1  0.619475  0.317548  0.412751  1
  Fe  Fe13  1  0.780568  0.639647  0.425564  1
  Fe  Fe14  1  0.941785  0.962000  0.438254  1
  Fe  Fe15  1  0.103188  0.284726  0.451231  1
  Fe  Fe16  1  0.264465  0.607196  0.464065  1
  Fe  Fe17  1  0.425688  0.929557  0.476812  1
  Fe  Fe18  1  0.586961  0.252023  0.489675  1
  Fe  Fe19  1  0.748306  0.574631  0.502539  1
  Fe  Fe20  1  0.909567  0.897069  0.515374  1
  Fe  Fe21  1  0.070808  0.219468  0.528144  1
  Fe  Fe22  1  0.232099  0.541969  0.541020  1
  Fe  Fe23  1  0.393449  0.864586  0.553878  1
  Fe  Fe24  1  0.554657  0.186919  0.566662  1
  Fe  Fe25  1  0.715899  0.509322  0.579503  1
  Fe  Fe26  1  0.877302  0.832043  0.592314  1
  Fe  Fe27  1  0.038524  0.154403  0.605280  1
  Fe  Fe28  1  0.199801  0.476884  0.617961  1
  Fe  Fe29  1  0.361013  0.799218  0.630806  1
  Fe  Fe30  1  0.522460  0.122017  0.643844  1
  Fe  Fe31  1  0.683945  0.444937  0.656227  1
  Fe  Fe32  1  0.844644  0.766244  0.669217  1
  Fe  Fe33  1  0.006304  0.089397  0.681877  1
  Fe  Fe34  1  0.167841  0.412532  0.694875  1
  Fe  Fe35  1  0.328505  0.733797  0.707531  1
  Fe  Fe36  1  0.489536  0.055415  0.720072  1
  Ni  Ni37  1  0.426664  0.933122  0.278258  1
  Ni  Ni38  1  0.587057  0.253410  0.290836  1
  Ni  Ni39  1  0.747782  0.574755  0.303170  1
  Ni  Ni40  1  0.910489  0.900269  0.316942  1
  Ni  Ni41  1  0.070981  0.221077  0.329459  1
  Ni  Ni42  1  0.232146  0.543316  0.341955  1
  Ni  Ni43  1  0.393259  0.865500  0.354884  1
  Ni  Ni44  1  0.554975  0.188836  0.367980  1
  Ni  Ni45  1  0.716324  0.511446  0.380573  1
  Ni  Ni46  1  0.877026  0.832768  0.393305  1
  Ni  Ni47  1  0.038800  0.156241  0.406373  1
  Ni  Ni48  1  0.200056  0.478665  0.419142  1
  Ni  Ni49  1  0.361125  0.800719  0.431888  1
  Ni  Ni50  1  0.522487  0.123365  0.444752  1
  Ni  Ni51  1  0.683833  0.445973  0.457651  1
  Ni  Ni52  1  0.845112  0.768448  0.470442  1
  Ni  Ni53  1  0.006273  0.090687  0.483228  1
  Ni  Ni54  1  0.167647  0.413354  0.496119  1
  Ni  Ni55  1  0.328962  0.735901  0.508958  1
  Ni  Ni56  1  0.490168  0.058229  0.521748  1
  Ni  Ni57  1  0.651449  0.380710  0.534589  1
  Ni  Ni58  1  0.812761  0.703251  0.547439  1
  Ni  Ni59  1  0.974111  0.025870  0.560289  1
  Ni  Ni60  1  0.135230  0.348022  0.573085  1
  Ni  Ni61  1  0.296601  0.670684  0.585898  1
  Ni  Ni62  1  0.457974  0.993345  0.598822  1
  Ni  Ni63  1  0.619049  0.315415  0.611576  1
  Ni  Ni64  1  0.780519  0.638280  0.624332  1
  Ni  Ni65  1  0.941615  0.960369  0.637244  1
  Ni  Ni66  1  0.103252  0.283568  0.650185  1
  Ni  Ni67  1  0.264201  0.605415  0.662924  1
  Ni  Ni68  1  0.425251  0.927378  0.675668  1
  Ni  Ni69  1  0.587257  0.251252  0.688774  1
  Ni  Ni70  1  0.747323  0.571499  0.701717  1
  Ni  Ni71  1  0.909122  0.894876  0.714182  1
  Ni  Ni72  1  0.070657  0.217223  0.726282  1
