# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00693203
_cell_length_b   5.00725147
_cell_length_c   47.04173055
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe30 Ni10'
_cell_volume   1021.3745215
_cell_formula_units_Z   10
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  0.913589  0.913821  0.338225  1
  Fe  Fe2  1  0.247384  0.747968  0.294756  1
  Fe  Fe3  1  0.747750  0.247599  0.294756  1
  Fe  Fe4  1  0.585324  0.585584  0.380461  1
  Fe  Fe5  1  0.920172  0.414054  0.336328  1
  Fe  Fe6  1  0.413821  0.920405  0.336328  1
  Fe  Fe7  1  0.250296  0.250578  0.424293  1
  Fe  Fe8  1  0.583029  0.085070  0.380913  1
  Fe  Fe9  1  0.084811  0.583288  0.380913  1
  Fe  Fe10  1  0.917439  0.917746  0.467797  1
  Fe  Fe11  1  0.250634  0.751076  0.424172  1
  Fe  Fe12  1  0.750794  0.250916  0.424172  1
  Fe  Fe13  1  0.583930  0.584261  0.511356  1
  Fe  Fe14  1  0.917390  0.417546  0.467828  1
  Fe  Fe15  1  0.417239  0.917698  0.467828  1
  Fe  Fe16  1  0.250750  0.251106  0.554899  1
  Fe  Fe17  1  0.583928  0.084414  0.511338  1
  Fe  Fe18  1  0.084083  0.584260  0.511338  1
  Fe  Fe19  1  0.916980  0.917361  0.598568  1
  Fe  Fe20  1  0.250708  0.750901  0.554942  1
  Fe  Fe21  1  0.750544  0.251065  0.554942  1
  Fe  Fe22  1  0.585352  0.585757  0.641684  1
  Fe  Fe23  1  0.917250  0.417540  0.598382  1
  Fe  Fe24  1  0.417160  0.917630  0.598382  1
  Fe  Fe25  1  0.248218  0.248650  0.687906  1
  Fe  Fe26  1  0.582336  0.084915  0.642247  1
  Fe  Fe27  1  0.084508  0.582742  0.642247  1
  Fe  Fe28  1  0.923147  0.923581  0.726235  1
  Fe  Fe29  1  0.251894  0.748650  0.684369  1
  Fe  Fe30  1  0.748226  0.252321  0.684369  1
  Ni  Ni31  1  0.748710  0.748928  0.293615  1
  Ni  Ni32  1  0.416746  0.416977  0.337463  1
  Ni  Ni33  1  0.084553  0.084813  0.380539  1
  Ni  Ni34  1  0.750518  0.750800  0.424304  1
  Ni  Ni35  1  0.417400  0.417708  0.467764  1
  Ni  Ni36  1  0.083944  0.084276  0.511382  1
  Ni  Ni37  1  0.750750  0.751106  0.554886  1
  Ni  Ni38  1  0.416989  0.417370  0.598524  1
  Ni  Ni39  1  0.084960  0.085367  0.641950  1
  Ni  Ni40  1  0.748982  0.749412  0.685512  1
