# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46442716
_cell_length_b   3.46442716
_cell_length_c   49.19672184
_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   590.471626929
_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  0.502538  0.502538  0.297437  1
  Fe  Fe2  1  0.502538  0.002538  0.334932  1
  Fe  Fe3  1  0.002538  0.502538  0.334932  1
  Fe  Fe4  1  0.502538  0.502538  0.370664  1
  Fe  Fe5  1  0.502538  0.002538  0.406249  1
  Fe  Fe6  1  0.002538  0.502538  0.406249  1
  Fe  Fe7  1  0.502538  0.502538  0.441900  1
  Fe  Fe8  1  0.502538  0.002538  0.477563  1
  Fe  Fe9  1  0.002538  0.502538  0.477563  1
  Fe  Fe10  1  0.502538  0.502538  0.513222  1
  Fe  Fe11  1  0.502538  0.002538  0.548879  1
  Fe  Fe12  1  0.002538  0.502538  0.548879  1
  Fe  Fe13  1  0.502538  0.502538  0.584532  1
  Fe  Fe14  1  0.502538  0.002538  0.620198  1
  Fe  Fe15  1  0.002538  0.502538  0.620198  1
  Fe  Fe16  1  0.502538  0.502538  0.656023  1
  Fe  Fe17  1  0.502538  0.002538  0.692443  1
  Fe  Fe18  1  0.002538  0.502538  0.692443  1
  Ni  Ni19  1  0.002538  0.002538  0.300187  1
  Ni  Ni20  1  0.002538  0.002538  0.370545  1
  Ni  Ni21  1  0.002538  0.002538  0.441907  1
  Ni  Ni22  1  0.002538  0.002538  0.513221  1
  Ni  Ni23  1  0.002538  0.002538  0.584542  1
  Ni  Ni24  1  0.002538  0.002538  0.655890  1
