# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58495815
_cell_length_b   8.46737573
_cell_length_c   49.45154945
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe21 Ni21'
_cell_volume   1082.38621389
_cell_formula_units_Z   21
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  0.503841  0.272451  0.310132  1
  Fe  Fe2  1  0.503841  0.988313  0.330996  1
  Fe  Fe3  1  0.503841  0.538909  0.290336  1
  Fe  Fe4  1  0.503841  0.425485  0.373167  1
  Fe  Fe5  1  0.503841  0.146939  0.393630  1
  Fe  Fe6  1  0.503841  0.711220  0.351369  1
  Fe  Fe7  1  0.503841  0.586006  0.435108  1
  Fe  Fe8  1  0.503841  0.303811  0.456229  1
  Fe  Fe9  1  0.503841  0.865509  0.414372  1
  Fe  Fe10  1  0.503841  0.742643  0.497835  1
  Fe  Fe11  1  0.503841  0.462073  0.518612  1
  Fe  Fe12  1  0.503841  0.023214  0.477058  1
  Fe  Fe13  1  0.503841  0.899280  0.560562  1
  Fe  Fe14  1  0.503841  0.619777  0.581298  1
  Fe  Fe15  1  0.503841  0.181475  0.539441  1
  Fe  Fe16  1  0.503841  0.059801  0.622503  1
  Fe  Fe17  1  0.503841  0.774066  0.644301  1
  Fe  Fe18  1  0.503841  0.338348  0.602040  1
  Fe  Fe19  1  0.503841  0.212835  0.685538  1
  Fe  Fe20  1  0.503841  0.946377  0.705333  1
  Fe  Fe21  1  0.503841  0.496973  0.664674  1
  Ni  Ni22  1  0.003841  0.489263  0.332082  1
  Ni  Ni23  1  0.003841  0.053162  0.289922  1
  Ni  Ni24  1  0.003841  0.769226  0.309319  1
  Ni  Ni25  1  0.003841  0.646993  0.393187  1
  Ni  Ni26  1  0.003841  0.207440  0.351808  1
  Ni  Ni27  1  0.003841  0.928176  0.372726  1
  Ni  Ni28  1  0.003841  0.804435  0.456127  1
  Ni  Ni29  1  0.003841  0.365699  0.414709  1
  Ni  Ni30  1  0.003841  0.084630  0.435319  1
  Ni  Ni31  1  0.003841  0.961601  0.518815  1
  Ni  Ni32  1  0.003841  0.523685  0.476855  1
  Ni  Ni33  1  0.003841  0.242643  0.497835  1
  Ni  Ni34  1  0.003841  0.119588  0.580960  1
  Ni  Ni35  1  0.003841  0.680851  0.539543  1
  Ni  Ni36  1  0.003841  0.400656  0.560351  1
  Ni  Ni37  1  0.003841  0.277846  0.643862  1
  Ni  Ni38  1  0.003841  0.838294  0.602483  1
  Ni  Ni39  1  0.003841  0.557110  0.622944  1
  Ni  Ni40  1  0.003841  0.432124  0.705748  1
  Ni  Ni41  1  0.003841  0.996023  0.663588  1
  Ni  Ni42  1  0.003841  0.716060  0.686351  1
