# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50082243
_cell_length_b   3.50082243
_cell_length_c   49.32106264
_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   604.466994132
_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  0.501163  0.501163  0.300528  1
  Fe  Fe2  1  0.501163  1.001163  0.337547  1
  Fe  Fe3  1  1.001163  0.501163  0.337547  1
  Fe  Fe4  1  0.501163  0.501163  0.373196  1
  Fe  Fe5  1  0.501163  1.001163  0.408850  1
  Fe  Fe6  1  1.001163  0.501163  0.408850  1
  Fe  Fe7  1  0.501163  0.501163  0.444518  1
  Fe  Fe8  1  0.501163  1.001163  0.480188  1
  Fe  Fe9  1  1.001163  0.501163  0.480188  1
  Fe  Fe10  1  0.501163  0.501163  0.515857  1
  Fe  Fe11  1  0.501163  1.001163  0.551526  1
  Fe  Fe12  1  1.001163  0.501163  0.551526  1
  Fe  Fe13  1  0.501163  0.501163  0.587208  1
  Fe  Fe14  1  0.501163  1.001163  0.622862  1
  Fe  Fe15  1  1.001163  0.501163  0.622862  1
  Fe  Fe16  1  0.501163  0.501163  0.658253  1
  Fe  Fe17  1  0.501163  1.001163  0.694797  1
  Fe  Fe18  1  1.001163  0.501163  0.694797  1
  Ni  Ni19  1  1.001163  1.001163  0.301857  1
  Ni  Ni20  1  1.001163  1.001163  0.373172  1
  Ni  Ni21  1  1.001163  1.001163  0.444519  1
  Ni  Ni22  1  1.001163  1.001163  0.515857  1
  Ni  Ni23  1  1.001163  1.001163  0.587187  1
  Ni  Ni24  1  1.001163  1.001163  0.658728  1
