# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01889478
_cell_length_b   7.89969912
_cell_length_c   47.25405371
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe54 Ni18'
_cell_volume   1777.37458812
_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  0.280974  0.558436  0.312511  1
  Fe  Fe2  1  0.063916  0.121676  0.288237  1
  Fe  Fe3  1  0.890401  0.280040  0.325884  1
  Fe  Fe4  1  0.670799  0.840368  0.300401  1
  Fe  Fe5  1  0.778430  0.558454  0.312534  1
  Fe  Fe6  1  0.558939  0.121672  0.288231  1
  Fe  Fe7  1  0.724628  0.448197  0.362654  1
  Fe  Fe8  1  0.499958  0.003021  0.337137  1
  Fe  Fe9  1  0.334900  0.169461  0.375079  1
  Fe  Fe10  1  0.113043  0.725429  0.349410  1
  Fe  Fe11  1  0.223981  0.448216  0.362646  1
  Fe  Fe12  1  0.003808  0.002993  0.337136  1
  Fe  Fe13  1  0.167840  0.336047  0.412605  1
  Fe  Fe14  1  0.946528  0.891554  0.387461  1
  Fe  Fe15  1  0.778740  0.057655  0.425154  1
  Fe  Fe16  1  0.557120  0.614177  0.400098  1
  Fe  Fe17  1  0.668167  0.336041  0.412607  1
  Fe  Fe18  1  0.445241  0.891554  0.387463  1
  Fe  Fe19  1  0.611866  0.224294  0.462676  1
  Fe  Fe20  1  0.389891  0.780129  0.437633  1
  Fe  Fe21  1  0.222862  0.946388  0.475206  1
  Fe  Fe22  1  0.000960  0.502333  0.450131  1
  Fe  Fe23  1  0.111886  0.224295  0.462676  1
  Fe  Fe24  1  0.889941  0.780129  0.437632  1
  Fe  Fe25  1  0.055936  0.112716  0.512777  1
  Fe  Fe26  1  0.833883  0.668476  0.487721  1
  Fe  Fe27  1  0.666797  0.834749  0.525262  1
  Fe  Fe28  1  0.444850  0.390614  0.500250  1
  Fe  Fe29  1  0.555743  0.112717  0.512776  1
  Fe  Fe30  1  0.333808  0.668476  0.487722  1
  Fe  Fe31  1  0.499609  1.001001  0.562812  1
  Fe  Fe32  1  0.277604  0.556843  0.537813  1
  Fe  Fe33  1  0.110697  0.723079  0.575486  1
  Fe  Fe34  1  0.888800  0.278998  0.550341  1
  Fe  Fe35  1  0.999869  1.000994  0.562814  1
  Fe  Fe36  1  0.777951  0.556845  0.537812  1
  Fe  Fe37  1  0.943297  0.889084  0.612962  1
  Fe  Fe38  1  0.722475  0.445556  0.587970  1
  Fe  Fe39  1  0.555502  0.613021  0.625325  1
  Fe  Fe40  1  0.332558  0.167012  0.600303  1
  Fe  Fe41  1  0.443725  0.889129  0.612955  1
  Fe  Fe42  1  0.221332  0.445547  0.587972  1
  Fe  Fe43  1  0.387783  0.779205  0.663652  1
  Fe  Fe44  1  0.164643  0.333175  0.637704  1
  Fe  Fe45  1  0.998129  0.498979  0.675831  1
  Fe  Fe46  1  0.775635  0.053659  0.650722  1
  Fe  Fe47  1  0.888987  0.779131  0.663664  1
  Fe  Fe48  1  0.666247  0.333197  0.637699  1
  Fe  Fe49  1  0.827093  0.661221  0.712421  1
  Fe  Fe50  1  0.613063  0.222896  0.687186  1
  Fe  Fe51  1  0.438863  0.380737  0.723646  1
  Fe  Fe52  1  0.224186  0.951134  0.700637  1
  Fe  Fe53  1  0.331352  0.661447  0.712407  1
  Fe  Fe54  1  0.107122  0.222922  0.687200  1
  Ni  Ni55  1  0.947382  0.394083  0.276098  1
  Ni  Ni56  1  0.169005  0.836785  0.299093  1
  Ni  Ni57  1  0.392161  0.283517  0.325322  1
  Ni  Ni58  1  0.613168  0.725768  0.349972  1
  Ni  Ni59  1  0.834443  0.168548  0.375149  1
  Ni  Ni60  1  0.057205  0.614328  0.400009  1
  Ni  Ni61  1  0.278901  0.057982  0.425108  1
  Ni  Ni62  1  0.500906  0.502229  0.450164  1
  Ni  Ni63  1  0.722865  0.946392  0.475214  1
  Ni  Ni64  1  0.944824  0.390561  0.500235  1
  Ni  Ni65  1  0.166750  0.834660  0.525299  1
  Ni  Ni66  1  0.388919  0.279237  0.550353  1
  Ni  Ni67  1  0.610772  0.723219  0.575310  1
  Ni  Ni68  1  0.832334  0.166562  0.600380  1
  Ni  Ni69  1  0.055149  0.612344  0.625808  1
  Ni  Ni70  1  0.276527  0.055490  0.650317  1
  Ni  Ni71  1  0.498428  0.499554  0.674772  1
  Ni  Ni72  1  0.721017  0.944778  0.701312  1
