# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51331445
_cell_length_b   11.19728141
_cell_length_c   47.36020171
_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   'Fe54 Ni18'
_cell_volume   1863.12999686
_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  0.504612  0.053861  0.316979  1
  Fe  Fe2  1  0.504612  0.759097  0.294362  1
  Fe  Fe3  1  0.504612  0.350861  0.343051  1
  Fe  Fe4  1  0.004612  0.001600  0.354455  1
  Fe  Fe5  1  0.004612  0.703244  0.330846  1
  Fe  Fe6  1  0.004612  0.407796  0.306750  1
  Fe  Fe7  1  0.504612  0.260780  0.295358  1
  Fe  Fe8  1  0.504612  0.852763  0.342705  1
  Fe  Fe9  1  0.504612  0.553621  0.318450  1
  Fe  Fe10  1  0.504612  0.951525  0.390270  1
  Fe  Fe11  1  0.504612  0.652006  0.366290  1
  Fe  Fe12  1  0.504612  0.251311  0.413600  1
  Fe  Fe13  1  0.004612  0.901479  0.425847  1
  Fe  Fe14  1  0.004612  0.601478  0.402002  1
  Fe  Fe15  1  0.004612  0.301112  0.377957  1
  Fe  Fe16  1  0.504612  0.150422  0.365543  1
  Fe  Fe17  1  0.504612  0.751281  0.413966  1
  Fe  Fe18  1  0.504612  0.451896  0.390056  1
  Fe  Fe19  1  0.504612  0.850960  0.461515  1
  Fe  Fe20  1  0.504612  0.550981  0.437702  1
  Fe  Fe21  1  0.504612  0.150701  0.485280  1
  Fe  Fe22  1  0.004612  0.800586  0.497239  1
  Fe  Fe23  1  0.004612  0.500698  0.473379  1
  Fe  Fe24  1  0.004612  0.200970  0.449496  1
  Fe  Fe25  1  0.504612  0.051428  0.437641  1
  Fe  Fe26  1  0.504612  0.650648  0.485341  1
  Fe  Fe27  1  0.504612  0.350728  0.461417  1
  Fe  Fe28  1  0.504612  0.750198  0.532985  1
  Fe  Fe29  1  0.504612  0.450446  0.509119  1
  Fe  Fe30  1  0.504612  0.049846  0.556665  1
  Fe  Fe31  1  0.004612  0.700044  0.568731  1
  Fe  Fe32  1  0.004612  0.400148  0.544872  1
  Fe  Fe33  1  0.004612  0.100240  0.520974  1
  Fe  Fe34  1  0.504612  0.950369  0.509118  1
  Fe  Fe35  1  0.504612  0.550119  0.556809  1
  Fe  Fe36  1  0.504612  0.250239  0.532880  1
  Fe  Fe37  1  0.504612  0.649733  0.604507  1
  Fe  Fe38  1  0.504612  0.349811  0.580531  1
  Fe  Fe39  1  0.504612  0.949155  0.628618  1
  Fe  Fe40  1  0.004612  0.599275  0.640489  1
  Fe  Fe41  1  0.004612  0.299116  0.615963  1
  Fe  Fe42  1  0.004612  0.999397  0.592509  1
  Fe  Fe43  1  0.504612  0.849901  0.580678  1
  Fe  Fe44  1  0.504612  0.450071  0.628218  1
  Fe  Fe45  1  0.504612  0.148550  0.604219  1
  Fe  Fe46  1  0.504612  0.548610  0.676140  1
  Fe  Fe47  1  0.504612  0.249376  0.650990  1
  Fe  Fe48  1  0.504612  0.844611  0.699050  1
  Fe  Fe49  1  0.004612  0.491942  0.710604  1
  Fe  Fe50  1  0.004612  0.196915  0.687505  1
  Fe  Fe51  1  0.004612  0.899328  0.664141  1
  Fe  Fe52  1  0.504612  0.749822  0.651959  1
  Fe  Fe53  1  0.504612  0.341950  0.699008  1
  Fe  Fe54  1  0.504612  0.049580  0.676190  1
  Ni  Ni55  1  0.004612  0.202361  0.329881  1
  Ni  Ni56  1  0.004612  0.904172  0.306794  1
  Ni  Ni57  1  0.004612  0.608246  0.283403  1
  Ni  Ni58  1  0.004612  0.101619  0.401794  1
  Ni  Ni59  1  0.004612  0.801829  0.378323  1
  Ni  Ni60  1  0.004612  0.502315  0.354314  1
  Ni  Ni61  1  0.004612  0.000866  0.473392  1
  Ni  Ni62  1  0.004612  0.700995  0.449633  1
  Ni  Ni63  1  0.004612  0.401033  0.425688  1
  Ni  Ni64  1  0.004612  0.900036  0.544870  1
  Ni  Ni65  1  0.004612  0.600330  0.521063  1
  Ni  Ni66  1  0.004612  0.300570  0.497174  1
  Ni  Ni67  1  0.004612  0.799570  0.616425  1
  Ni  Ni68  1  0.004612  0.499984  0.592556  1
  Ni  Ni69  1  0.004612  0.199621  0.568545  1
  Ni  Ni70  1  0.004612  0.696535  0.688157  1
  Ni  Ni71  1  0.004612  0.397570  0.663615  1
  Ni  Ni72  1  0.004612  0.098850  0.640114  1
