# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51592368
_cell_length_b   11.15413652
_cell_length_c   47.10401506
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe18 Ni54'
_cell_volume   1847.282527
_cell_formula_units_Z   18
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  1.002531  0.192673  0.337172  1
  Fe  Fe2  1  1.002531  0.892705  0.314512  1
  Fe  Fe3  1  1.002531  0.600006  0.291189  1
  Fe  Fe4  1  1.002531  0.093747  0.408973  1
  Fe  Fe5  1  1.002531  0.793660  0.385534  1
  Fe  Fe6  1  1.002531  0.492657  0.360894  1
  Fe  Fe7  1  1.002531  0.992958  0.480427  1
  Fe  Fe8  1  1.002531  0.692667  0.456495  1
  Fe  Fe9  1  1.002531  0.392778  0.432510  1
  Fe  Fe10  1  1.002531  0.892297  0.551760  1
  Fe  Fe11  1  1.002531  0.592341  0.527878  1
  Fe  Fe12  1  1.002531  0.292657  0.504126  1
  Fe  Fe13  1  1.002531  0.791835  0.623084  1
  Fe  Fe14  1  1.002531  0.491819  0.599313  1
  Fe  Fe15  1  1.002531  0.192318  0.575626  1
  Fe  Fe16  1  1.002531  0.689908  0.693865  1
  Fe  Fe17  1  1.002531  0.392119  0.670890  1
  Fe  Fe18  1  1.002531  0.092247  0.646794  1
  Ni  Ni19  1  0.502531  0.042819  0.325481  1
  Ni  Ni20  1  0.502531  0.751324  0.300089  1
  Ni  Ni21  1  0.502531  0.343007  0.348597  1
  Ni  Ni22  1  1.002531  0.087382  0.290232  1
  Ni  Ni23  1  1.002531  0.694822  0.338407  1
  Ni  Ni24  1  1.002531  0.394664  0.312889  1
  Ni  Ni25  1  0.502531  0.241221  0.301464  1
  Ni  Ni26  1  0.502531  0.843552  0.349948  1
  Ni  Ni27  1  0.502531  0.544390  0.325638  1
  Ni  Ni28  1  0.502531  0.943776  0.397271  1
  Ni  Ni29  1  0.502531  0.642882  0.373352  1
  Ni  Ni30  1  0.502531  0.243256  0.420674  1
  Ni  Ni31  1  1.002531  0.993952  0.361684  1
  Ni  Ni32  1  1.002531  0.592565  0.408759  1
  Ni  Ni33  1  1.002531  0.293085  0.384715  1
  Ni  Ni34  1  0.502531  0.143618  0.372989  1
  Ni  Ni35  1  0.502531  0.742966  0.420957  1
  Ni  Ni36  1  0.502531  0.442525  0.396642  1
  Ni  Ni37  1  0.502531  0.842843  0.468497  1
  Ni  Ni38  1  0.502531  0.542629  0.444466  1
  Ni  Ni39  1  0.502531  0.142833  0.492289  1
  Ni  Ni40  1  1.002531  0.893478  0.432918  1
  Ni  Ni41  1  1.002531  0.492520  0.480216  1
  Ni  Ni42  1  1.002531  0.193099  0.456543  1
  Ni  Ni43  1  0.502531  0.043397  0.444722  1
  Ni  Ni44  1  0.502531  0.642479  0.492173  1
  Ni  Ni45  1  0.502531  0.342799  0.468334  1
  Ni  Ni46  1  0.502531  0.742312  0.539818  1
  Ni  Ni47  1  0.502531  0.442480  0.515981  1
  Ni  Ni48  1  0.502531  0.042324  0.563693  1
  Ni  Ni49  1  1.002531  0.792552  0.504128  1
  Ni  Ni50  1  1.002531  0.392270  0.551726  1
  Ni  Ni51  1  1.002531  0.092609  0.528013  1
  Ni  Ni52  1  0.502531  0.942593  0.516089  1
  Ni  Ni53  1  0.502531  0.542121  0.563600  1
  Ni  Ni54  1  0.502531  0.242475  0.539879  1
  Ni  Ni55  1  0.502531  0.641727  0.611193  1
  Ni  Ni56  1  0.502531  0.342099  0.587508  1
  Ni  Ni57  1  0.502531  0.942042  0.635226  1
  Ni  Ni58  1  1.002531  0.692030  0.575506  1
  Ni  Ni59  1  1.002531  0.292251  0.623341  1
  Ni  Ni60  1  1.002531  0.991996  0.599376  1
  Ni  Ni61  1  0.502531  0.842129  0.587463  1
  Ni  Ni62  1  0.502531  0.441824  0.635166  1
  Ni  Ni63  1  0.502531  0.142214  0.611293  1
  Ni  Ni64  1  0.502531  0.540171  0.684181  1
  Ni  Ni65  1  0.502531  0.241171  0.659047  1
  Ni  Ni66  1  0.502531  0.836942  0.706992  1
  Ni  Ni67  1  1.002531  0.590900  0.646779  1
  Ni  Ni68  1  1.002531  0.190271  0.694487  1
  Ni  Ni69  1  1.002531  0.891591  0.670582  1
  Ni  Ni70  1  0.502531  0.741751  0.658496  1
  Ni  Ni71  1  0.502531  0.342564  0.706247  1
  Ni  Ni72  1  0.502531  0.041400  0.682780  1
