# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51937199
_cell_length_b   3.51937199
_cell_length_c   50.11154699
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe18 Ni6'
_cell_volume   620.680577474
_cell_formula_units_Z   6
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  0.503744  0.503744  0.298047  1
  Fe  Fe2  1  0.503744  0.003744  0.334734  1
  Fe  Fe3  1  0.003744  0.503744  0.334734  1
  Fe  Fe4  1  0.503744  0.503744  0.370417  1
  Fe  Fe5  1  0.503744  0.003744  0.406087  1
  Fe  Fe6  1  0.003744  0.503744  0.406087  1
  Fe  Fe7  1  0.503744  0.503744  0.441789  1
  Fe  Fe8  1  0.503744  0.003744  0.477493  1
  Fe  Fe9  1  0.003744  0.503744  0.477493  1
  Fe  Fe10  1  0.503744  0.503744  0.513196  1
  Fe  Fe11  1  0.503744  0.003744  0.548900  1
  Fe  Fe12  1  0.003744  0.503744  0.548900  1
  Fe  Fe13  1  0.503744  0.503744  0.584610  1
  Fe  Fe14  1  0.503744  0.003744  0.620306  1
  Fe  Fe15  1  0.003744  0.503744  0.620306  1
  Fe  Fe16  1  0.503744  0.503744  0.655472  1
  Fe  Fe17  1  0.503744  0.003744  0.691749  1
  Fe  Fe18  1  0.003744  0.503744  0.691749  1
  Ni  Ni19  1  0.003744  0.003744  0.298947  1
  Ni  Ni20  1  0.003744  0.003744  0.370375  1
  Ni  Ni21  1  0.003744  0.003744  0.441790  1
  Ni  Ni22  1  0.003744  0.003744  0.513197  1
  Ni  Ni23  1  0.003744  0.003744  0.584602  1
  Ni  Ni24  1  0.003744  0.003744  0.656132  1
