# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97157086
_cell_length_b   4.97157086
_cell_length_c   46.50843563
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe30 Ni10'
_cell_volume   995.519177547
_cell_formula_units_Z   10
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  0.333403  0.082944  0.316261  1
  Fe  Fe2  1  0.333403  0.581354  0.316261  1
  Fe  Fe3  1  0.831814  0.082944  0.316261  1
  Fe  Fe4  1  0.998588  0.748128  0.359319  1
  Fe  Fe5  1  0.998588  0.250985  0.359319  1
  Fe  Fe6  1  0.501445  0.748128  0.359319  1
  Fe  Fe7  1  0.666392  0.415932  0.402987  1
  Fe  Fe8  1  0.666392  0.915376  0.402987  1
  Fe  Fe9  1  0.165836  0.415932  0.402987  1
  Fe  Fe10  1  0.332782  0.082322  0.446448  1
  Fe  Fe11  1  0.332782  0.582597  0.446448  1
  Fe  Fe12  1  0.833057  0.082322  0.446448  1
  Fe  Fe13  1  -0.000410  0.749130  0.490000  1
  Fe  Fe14  1  -0.000410  0.248981  0.490000  1
  Fe  Fe15  1  0.499441  0.749130  0.490000  1
  Fe  Fe16  1  0.666141  0.415681  0.533503  1
  Fe  Fe17  1  0.666141  0.915878  0.533503  1
  Fe  Fe18  1  0.166338  0.415681  0.533503  1
  Fe  Fe19  1  0.333056  0.082596  0.577072  1
  Fe  Fe20  1  0.333056  0.582049  0.577072  1
  Fe  Fe21  1  0.832509  0.082596  0.577072  1
  Fe  Fe22  1  0.999308  0.748849  0.620465  1
  Fe  Fe23  1  0.999308  0.249544  0.620465  1
  Fe  Fe24  1  0.500003  0.748849  0.620465  1
  Fe  Fe25  1  0.666552  0.416092  0.664099  1
  Fe  Fe26  1  0.666552  0.915057  0.664099  1
  Fe  Fe27  1  0.165517  0.416092  0.664099  1
  Fe  Fe28  1  0.332128  0.081668  0.707678  1
  Fe  Fe29  1  0.332128  0.583905  0.707678  1
  Fe  Fe30  1  0.834365  0.081668  0.707678  1
  Ni  Ni31  1  0.166207  0.915747  0.275206  1
  Ni  Ni32  1  0.832873  0.582414  0.314861  1
  Ni  Ni33  1  0.499540  0.249080  0.359677  1
  Ni  Ni34  1  0.166207  0.915747  0.402822  1
  Ni  Ni35  1  0.832873  0.582414  0.446508  1
  Ni  Ni36  1  0.499540  0.249080  0.489966  1
  Ni  Ni37  1  0.166207  0.915747  0.533549  1
  Ni  Ni38  1  0.832873  0.582414  0.576963  1
  Ni  Ni39  1  0.499540  0.249080  0.620815  1
  Ni  Ni40  1  0.166207  0.915747  0.663685  1
