# generated using pymatgen
data_Fe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52828670
_cell_length_b   6.52828670
_cell_length_c   6.52828670
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Ni
_chemical_formula_sum   'Fe16 Ni8'
_cell_volume   278.22596454
_cell_formula_units_Z   8
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  Fe0  1  0.37500000  0.87500000  0.12500000  1
  Fe  Fe1  1  0.37500000  0.12500000  0.87500000  1
  Fe  Fe2  1  0.12500000  0.87500000  0.37500000  1
  Fe  Fe3  1  0.12500000  0.12500000  0.62500000  1
  Fe  Fe4  1  0.37500000  0.37500000  0.62500000  1
  Fe  Fe5  1  0.37500000  0.62500000  0.37500000  1
  Fe  Fe6  1  0.12500000  0.37500000  0.87500000  1
  Fe  Fe7  1  0.12500000  0.62500000  0.12500000  1
  Fe  Fe8  1  0.87500000  0.87500000  0.62500000  1
  Fe  Fe9  1  0.87500000  0.12500000  0.37500000  1
  Fe  Fe10  1  0.62500000  0.87500000  0.87500000  1
  Fe  Fe11  1  0.62500000  0.12500000  0.12500000  1
  Fe  Fe12  1  0.87500000  0.37500000  0.12500000  1
  Fe  Fe13  1  0.87500000  0.62500000  0.87500000  1
  Fe  Fe14  1  0.62500000  0.37500000  0.37500000  1
  Fe  Fe15  1  0.62500000  0.62500000  0.62500000  1
  Ni  Ni16  1  0.25000000  0.75000000  0.75000000  1
  Ni  Ni17  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni18  1  0.25000000  0.25000000  0.25000000  1
  Ni  Ni19  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni20  1  0.75000000  0.75000000  0.25000000  1
  Ni  Ni21  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni22  1  0.75000000  0.25000000  0.75000000  1
  Ni  Ni23  1  0.50000000  0.50000000  0.00000000  1
