# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48266258
_cell_length_b   4.98679170
_cell_length_c   49.76290026
_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   'Fe27 Ni9'
_cell_volume   864.247858404
_cell_formula_units_Z   9
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  0.503776  0.121331  0.311332  1
  Fe  Fe2  1  1.003776  0.372557  0.285476  1
  Fe  Fe3  1  0.503776  0.623783  0.311332  1
  Fe  Fe4  1  0.503776  0.622231  0.361157  1
  Fe  Fe5  1  1.003776  0.872557  0.336250  1
  Fe  Fe6  1  0.503776  0.122883  0.361157  1
  Fe  Fe7  1  0.503776  0.122651  0.411107  1
  Fe  Fe8  1  1.003776  0.372557  0.386045  1
  Fe  Fe9  1  0.503776  0.622463  0.411107  1
  Fe  Fe10  1  0.503776  0.622532  0.461090  1
  Fe  Fe11  1  1.003776  0.872557  0.436113  1
  Fe  Fe12  1  0.503776  0.122582  0.461090  1
  Fe  Fe13  1  0.503776  0.122560  0.511074  1
  Fe  Fe14  1  1.003776  0.372557  0.486076  1
  Fe  Fe15  1  0.503776  0.622554  0.511074  1
  Fe  Fe16  1  0.503776  0.622571  0.561058  1
  Fe  Fe17  1  1.003776  0.872557  0.536070  1
  Fe  Fe18  1  0.503776  0.122543  0.561058  1
  Fe  Fe19  1  0.503776  0.122497  0.611046  1
  Fe  Fe20  1  1.003776  0.372557  0.586040  1
  Fe  Fe21  1  0.503776  0.622617  0.611046  1
  Fe  Fe22  1  0.503776  0.623136  0.661049  1
  Fe  Fe23  1  1.003776  0.872557  0.636068  1
  Fe  Fe24  1  0.503776  0.121978  0.661049  1
  Fe  Fe25  1  0.503776  0.120893  0.711702  1
  Fe  Fe26  1  1.003776  0.372557  0.685479  1
  Fe  Fe27  1  0.503776  0.624221  0.711702  1
  Ni  Ni28  1  1.003776  0.872557  0.286602  1
  Ni  Ni29  1  1.003776  0.372557  0.335891  1
  Ni  Ni30  1  1.003776  0.872557  0.386159  1
  Ni  Ni31  1  1.003776  0.372557  0.436082  1
  Ni  Ni32  1  1.003776  0.872557  0.486086  1
  Ni  Ni33  1  1.003776  0.372557  0.536062  1
  Ni  Ni34  1  1.003776  0.872557  0.586059  1
  Ni  Ni35  1  1.003776  0.372557  0.636001  1
  Ni  Ni36  1  1.003776  0.872557  0.686063  1
