# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99752817
_cell_length_b   13.32732317
_cell_length_c   52.67830083
_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   2104.44684274
_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  0.580814  0.378798  0.240453  1
  Fe  Fe2  1  0.580814  -0.007568  0.263736  1
  Fe  Fe3  1  0.580814  0.614304  0.281976  1
  Fe  Fe4  1  0.080814  0.300461  0.272030  1
  Fe  Fe5  1  0.080814  0.061236  0.230418  1
  Fe  Fe6  1  0.080814  0.688795  0.249347  1
  Fe  Fe7  1  0.580814  0.559760  0.230667  1
  Fe  Fe8  1  0.580814  0.175052  0.254494  1
  Fe  Fe9  1  0.580814  0.799047  0.273835  1
  Fe  Fe10  1  0.580814  0.229029  0.304046  1
  Fe  Fe11  1  0.580814  0.842722  0.325920  1
  Fe  Fe12  1  0.580814  0.464257  0.345271  1
  Fe  Fe13  1  0.080814  0.152920  0.335451  1
  Fe  Fe14  1  0.080814  0.915948  0.294489  1
  Fe  Fe15  1  0.080814  0.536727  0.313447  1
  Fe  Fe16  1  0.580814  0.416119  0.293478  1
  Fe  Fe17  1  0.580814  0.030702  0.316415  1
  Fe  Fe18  1  0.580814  0.650821  0.335671  1
  Fe  Fe19  1  0.580814  0.079513  0.366869  1
  Fe  Fe20  1  0.580814  0.695008  0.388414  1
  Fe  Fe21  1  0.580814  0.315838  0.408036  1
  Fe  Fe22  1  0.080814  0.004675  0.398110  1
  Fe  Fe23  1  0.080814  0.767632  0.356974  1
  Fe  Fe24  1  0.080814  0.389126  0.376606  1
  Fe  Fe25  1  0.580814  0.270806  0.356047  1
  Fe  Fe26  1  0.580814  0.883581  0.378505  1
  Fe  Fe27  1  0.580814  0.504574  0.398229  1
  Fe  Fe28  1  0.580814  0.931616  0.429468  1
  Fe  Fe29  1  0.580814  0.547562  0.450953  1
  Fe  Fe30  1  0.580814  0.168081  0.470596  1
  Fe  Fe31  1  0.080814  0.857514  0.460698  1
  Fe  Fe32  1  0.080814  0.620802  0.419599  1
  Fe  Fe33  1  0.080814  0.241439  0.439282  1
  Fe  Fe34  1  0.580814  0.123754  0.418431  1
  Fe  Fe35  1  0.580814  0.736932  0.440953  1
  Fe  Fe36  1  0.580814  0.357510  0.460718  1
  Fe  Fe37  1  0.580814  0.784365  0.491984  1
  Fe  Fe38  1  0.580814  0.399867  0.513494  1
  Fe  Fe39  1  0.580814  0.020942  0.533110  1
  Fe  Fe40  1  0.080814  0.710570  0.523179  1
  Fe  Fe41  1  0.080814  0.473519  0.482176  1
  Fe  Fe42  1  0.080814  0.094266  0.501843  1
  Fe  Fe43  1  0.580814  -0.022914  0.480848  1
  Fe  Fe44  1  0.580814  0.589693  0.503513  1
  Fe  Fe45  1  0.580814  0.210427  0.523204  1
  Fe  Fe46  1  0.580814  0.636992  0.554320  1
  Fe  Fe47  1  0.580814  0.252398  0.576189  1
  Fe  Fe48  1  0.580814  0.873486  0.595390  1
  Fe  Fe49  1  0.080814  0.563321  0.585462  1
  Fe  Fe50  1  0.080814  0.325909  0.544784  1
  Fe  Fe51  1  0.080814  0.947798  0.564365  1
  Fe  Fe52  1  0.580814  0.830753  0.543240  1
  Fe  Fe53  1  0.580814  0.441654  0.566166  1
  Fe  Fe54  1  0.580814  0.064303  0.585816  1
  Fe  Fe55  1  0.580814  0.490009  0.616379  1
  Fe  Fe56  1  0.580814  0.103662  0.639406  1
  Fe  Fe57  1  0.580814  0.726269  0.658013  1
  Fe  Fe58  1  0.080814  0.426490  0.649440  1
  Fe  Fe59  1  0.080814  0.179381  0.607491  1
  Fe  Fe60  1  0.080814  0.800222  0.626328  1
  Fe  Fe61  1  0.580814  0.683554  0.605437  1
  Fe  Fe62  1  0.580814  0.297499  0.629829  1
  Fe  Fe63  1  0.580814  0.917378  0.648718  1
  Ni  Ni64  1  0.080814  0.492982  0.263123  1
  Ni  Ni65  1  0.080814  0.251018  0.224925  1
  Ni  Ni66  1  0.080814  0.875417  0.243595  1
  Ni  Ni67  1  0.080814  0.345444  0.325069  1
  Ni  Ni68  1  0.080814  0.105832  0.285801  1
  Ni  Ni69  1  0.080814  0.725952  0.304844  1
  Ni  Ni70  1  0.080814  0.197865  0.387343  1
  Ni  Ni71  1  0.080814  0.958166  0.347571  1
  Ni  Ni72  1  0.080814  0.578793  0.367126  1
  Ni  Ni73  1  0.080814  0.050631  0.449693  1
  Ni  Ni74  1  0.080814  0.811138  0.409827  1
  Ni  Ni75  1  0.080814  0.431493  0.429550  1
  Ni  Ni76  1  0.080814  0.903812  0.512057  1
  Ni  Ni77  1  0.080814  0.663940  0.472294  1
  Ni  Ni78  1  0.080814  0.284105  0.491985  1
  Ni  Ni79  1  0.080814  0.756607  0.574267  1
  Ni  Ni80  1  0.080814  0.516096  0.534865  1
  Ni  Ni81  1  0.080814  0.137083  0.554459  1
  Ni  Ni82  1  0.080814  0.609582  0.636306  1
  Ni  Ni83  1  0.080814  0.368029  0.597667  1
  Ni  Ni84  1  0.080814  -0.010751  0.616648  1
