# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57585972
_cell_length_b   2.57585972
_cell_length_c   47.40905588
_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   'Fe6 Ni6'
_cell_volume   314.561613435
_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  0.505621  0.505621  0.297677  1
  Fe  Fe2  1  0.505621  0.505621  0.369322  1
  Fe  Fe3  1  0.505621  0.505621  0.440761  1
  Fe  Fe4  1  0.505621  0.505621  0.512206  1
  Fe  Fe5  1  0.505621  0.505621  0.583652  1
  Fe  Fe6  1  0.505621  0.505621  0.655014  1
  Ni  Ni7  1  0.005621  0.005621  0.333715  1
  Ni  Ni8  1  0.005621  0.005621  0.405037  1
  Ni  Ni9  1  0.005621  0.005621  0.476484  1
  Ni  Ni10  1  0.005621  0.005621  0.547929  1
  Ni  Ni11  1  0.005621  0.005621  0.619388  1
  Ni  Ni12  1  0.005621  0.005621  0.690598  1
