# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90654271
_cell_length_b   4.90654271
_cell_length_c   46.34381477
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe30 Ni10'
_cell_volume   966.21456403
_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  0.086697  0.087589  0.313728  1
  Fe  Fe2  1  0.086697  0.580253  0.313728  1
  Fe  Fe3  1  0.579360  0.087590  0.313728  1
  Fe  Fe4  1  0.751024  0.751919  0.357416  1
  Fe  Fe5  1  0.751026  0.251597  0.357416  1
  Fe  Fe6  1  0.250704  0.751917  0.357416  1
  Fe  Fe7  1  0.417792  0.418677  0.401017  1
  Fe  Fe8  1  0.417785  0.918070  0.401017  1
  Fe  Fe9  1  0.917177  0.418685  0.401017  1
  Fe  Fe10  1  0.084172  0.085095  0.444415  1
  Fe  Fe11  1  0.084202  0.585273  0.444415  1
  Fe  Fe12  1  0.584380  0.085064  0.444415  1
  Fe  Fe13  1  0.751012  0.751786  0.487881  1
  Fe  Fe14  1  0.750893  0.251741  0.487881  1
  Fe  Fe15  1  0.250848  0.751905  0.487881  1
  Fe  Fe16  1  0.417315  0.418678  0.531311  1
  Fe  Fe17  1  0.417786  0.918546  0.531311  1
  Fe  Fe18  1  0.917653  0.418208  0.531311  1
  Fe  Fe19  1  0.085273  0.084300  0.574776  1
  Fe  Fe20  1  0.083407  0.584966  0.574776  1
  Fe  Fe21  1  0.584073  0.086166  0.574776  1
  Fe  Fe22  1  0.747165  0.755388  0.618152  1
  Fe  Fe23  1  0.754495  0.251986  0.618152  1
  Fe  Fe24  1  0.251093  0.748058  0.618152  1
  Fe  Fe25  1  0.431597  0.403355  0.661881  1
  Fe  Fe26  1  0.402462  0.919587  0.661881  1
  Fe  Fe27  1  0.918694  0.432490  0.661881  1
  Fe  Fe28  1  0.918050  0.223772  0.706216  1
  Fe  Fe29  1  0.222879  0.612717  0.706216  1
  Fe  Fe30  1  0.611824  0.918943  0.706216  1
  Ni  Ni31  1  0.917584  0.918477  0.272974  1
  Ni  Ni32  1  0.584251  0.585144  0.313995  1
  Ni  Ni33  1  0.250918  0.251811  0.357765  1
  Ni  Ni34  1  0.917584  0.918477  0.400907  1
  Ni  Ni35  1  0.584251  0.585144  0.444462  1
  Ni  Ni36  1  0.250918  0.251811  0.487857  1
  Ni  Ni37  1  0.917584  0.918477  0.531336  1
  Ni  Ni38  1  0.584251  0.585144  0.574729  1
  Ni  Ni39  1  0.250918  0.251811  0.618316  1
  Ni  Ni40  1  0.917584  0.918477  0.661548  1
