# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50846015
_cell_length_b   5.03051062
_cell_length_c   45.27596383
_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   'Fe24 Ni8'
_cell_volume   799.091153301
_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  Fe1  1  0.505311  0.622515  0.317908  1
  Fe  Fe2  1  0.005311  0.873400  0.290635  1
  Fe  Fe3  1  0.505311  0.124284  0.317908  1
  Fe  Fe4  1  0.505311  0.123668  0.373262  1
  Fe  Fe5  1  0.005311  0.373400  0.345182  1
  Fe  Fe6  1  0.505311  0.623131  0.373262  1
  Fe  Fe7  1  0.505311  0.623290  0.428864  1
  Fe  Fe8  1  0.005311  0.873400  0.401131  1
  Fe  Fe9  1  0.505311  0.123509  0.428864  1
  Fe  Fe10  1  0.505311  0.123409  0.484481  1
  Fe  Fe11  1  0.005311  0.373400  0.456645  1
  Fe  Fe12  1  0.505311  0.623390  0.484481  1
  Fe  Fe13  1  0.505311  0.623441  0.540101  1
  Fe  Fe14  1  0.005311  0.873400  0.512308  1
  Fe  Fe15  1  0.505311  0.123359  0.540101  1
  Fe  Fe16  1  0.505311  0.123111  0.595728  1
  Fe  Fe17  1  0.005311  0.373400  0.567853  1
  Fe  Fe18  1  0.505311  0.623689  0.595728  1
  Fe  Fe19  1  0.505311  0.623926  0.651495  1
  Fe  Fe20  1  0.005311  0.873400  0.623648  1
  Fe  Fe21  1  0.505311  0.122873  0.651495  1
  Fe  Fe22  1  0.505311  0.124277  0.706386  1
  Fe  Fe23  1  0.005311  0.373400  0.678356  1
  Fe  Fe24  1  0.505311  0.622522  0.706386  1
  Ni  Ni25  1  0.005311  0.373400  0.289918  1
  Ni  Ni26  1  0.005311  0.873400  0.345601  1
  Ni  Ni27  1  0.005311  0.373400  0.400996  1
  Ni  Ni28  1  0.005311  0.873400  0.456692  1
  Ni  Ni29  1  0.005311  0.373400  0.512273  1
  Ni  Ni30  1  0.005311  0.873400  0.567937  1
  Ni  Ni31  1  0.005311  0.373400  0.623389  1
  Ni  Ni32  1  0.005311  0.873400  0.679296  1
