# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49531380
_cell_length_b   11.10692659
_cell_length_c   50.05723427
_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   'Fe63 Ni21'
_cell_volume   1943.33164976
_cell_formula_units_Z   21
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  0.501953  0.040647  0.304350  1
  Fe  Fe2  1  0.501953  0.746788  0.281313  1
  Fe  Fe3  1  0.501953  0.341042  0.326849  1
  Fe  Fe4  1  1.001953  0.090954  0.270333  1
  Fe  Fe5  1  1.001953  0.692362  0.315850  1
  Fe  Fe6  1  1.001953  0.394432  0.292855  1
  Fe  Fe7  1  0.501953  0.244860  0.281694  1
  Fe  Fe8  1  0.501953  0.841347  0.327028  1
  Fe  Fe9  1  0.501953  0.542912  0.304248  1
  Fe  Fe10  1  0.501953  0.941669  0.371184  1
  Fe  Fe11  1  0.501953  0.641278  0.348961  1
  Fe  Fe12  1  0.501953  0.241317  0.393194  1
  Fe  Fe13  1  1.001953  0.991554  0.337782  1
  Fe  Fe14  1  1.001953  0.591143  0.382136  1
  Fe  Fe15  1  1.001953  0.291123  0.359858  1
  Fe  Fe16  1  0.501953  0.141276  0.348731  1
  Fe  Fe17  1  0.501953  0.741342  0.393348  1
  Fe  Fe18  1  0.501953  0.441337  0.371006  1
  Fe  Fe19  1  0.501953  0.841340  0.437732  1
  Fe  Fe20  1  0.501953  0.541190  0.415446  1
  Fe  Fe21  1  0.501953  0.141310  0.459913  1
  Fe  Fe22  1  1.001953  0.891536  0.404479  1
  Fe  Fe23  1  1.001953  0.491176  0.448755  1
  Fe  Fe24  1  1.001953  0.191321  0.426575  1
  Fe  Fe25  1  0.501953  0.041491  0.415527  1
  Fe  Fe26  1  0.501953  0.641204  0.459878  1
  Fe  Fe27  1  0.501953  0.341210  0.437651  1
  Fe  Fe28  1  0.501953  0.741191  0.504302  1
  Fe  Fe29  1  0.501953  0.441183  0.482073  1
  Fe  Fe30  1  0.501953  0.041208  0.526541  1
  Fe  Fe31  1  1.001953  0.791250  0.471007  1
  Fe  Fe32  1  1.001953  0.391148  0.515387  1
  Fe  Fe33  1  1.001953  0.091264  0.493230  1
  Fe  Fe34  1  0.501953  0.941273  0.482132  1
  Fe  Fe35  1  0.501953  0.541134  0.526486  1
  Fe  Fe36  1  0.501953  0.241204  0.504306  1
  Fe  Fe37  1  0.501953  0.641063  0.570900  1
  Fe  Fe38  1  0.501953  0.341108  0.548697  1
  Fe  Fe39  1  0.501953  0.941171  0.593141  1
  Fe  Fe40  1  1.001953  0.691131  0.537601  1
  Fe  Fe41  1  1.001953  0.291058  0.582022  1
  Fe  Fe42  1  1.001953  0.991208  0.559853  1
  Fe  Fe43  1  0.501953  0.841163  0.548724  1
  Fe  Fe44  1  0.501953  0.440941  0.593080  1
  Fe  Fe45  1  0.501953  0.141182  0.570960  1
  Fe  Fe46  1  0.501953  0.540832  0.637394  1
  Fe  Fe47  1  0.501953  0.241109  0.615421  1
  Fe  Fe48  1  0.501953  0.840947  0.659708  1
  Fe  Fe49  1  1.001953  0.590965  0.604184  1
  Fe  Fe50  1  1.001953  0.191437  0.648779  1
  Fe  Fe51  1  1.001953  0.891103  0.626425  1
  Fe  Fe52  1  0.501953  0.741046  0.615300  1
  Fe  Fe53  1  0.501953  0.341082  0.659976  1
  Fe  Fe54  1  0.501953  0.041109  0.637554  1
  Fe  Fe55  1  0.501953  0.440745  0.704909  1
  Fe  Fe56  1  0.501953  0.141311  0.681840  1
  Fe  Fe57  1  0.501953  0.733571  0.727380  1
  Fe  Fe58  1  1.001953  0.490668  0.670570  1
  Fe  Fe59  1  1.001953  0.087141  0.715672  1
  Fe  Fe60  1  1.001953  0.789528  0.692958  1
  Fe  Fe61  1  0.501953  0.640548  0.681676  1
  Fe  Fe62  1  0.501953  0.239200  0.727303  1
  Fe  Fe63  1  0.501953  0.938783  0.704365  1
  Ni  Ni64  1  1.001953  0.191383  0.315148  1
  Ni  Ni65  1  1.001953  0.892403  0.293449  1
  Ni  Ni66  1  1.001953  0.596766  0.271675  1
  Ni  Ni67  1  1.001953  0.091456  0.382171  1
  Ni  Ni68  1  1.001953  0.791580  0.360169  1
  Ni  Ni69  1  1.001953  0.491434  0.337546  1
  Ni  Ni70  1  1.001953  0.991375  0.448839  1
  Ni  Ni71  1  1.001953  0.691243  0.426587  1
  Ni  Ni72  1  1.001953  0.391176  0.404322  1
  Ni  Ni73  1  1.001953  0.891214  0.515428  1
  Ni  Ni74  1  1.001953  0.591172  0.493181  1
  Ni  Ni75  1  1.001953  0.291230  0.470983  1
  Ni  Ni76  1  1.001953  0.791103  0.582015  1
  Ni  Ni77  1  1.001953  0.491068  0.559787  1
  Ni  Ni78  1  1.001953  0.191166  0.537627  1
  Ni  Ni79  1  1.001953  0.691035  0.648584  1
  Ni  Ni80  1  1.001953  0.390817  0.626406  1
  Ni  Ni81  1  1.001953  0.091242  0.604289  1
  Ni  Ni82  1  1.001953  0.588489  0.714968  1
  Ni  Ni83  1  1.001953  0.290413  0.693570  1
  Ni  Ni84  1  1.001953  0.990966  0.670859  1
