# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99600463
_cell_length_b   7.87512167
_cell_length_c   47.19134019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe18 Ni54'
_cell_volume   1761.42302997
_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  0.878511  0.380853  0.281888  1
  Fe  Fe2  1  0.098919  0.821509  0.306049  1
  Fe  Fe3  1  0.321424  0.266674  0.329934  1
  Fe  Fe4  1  0.544250  0.712448  0.355364  1
  Fe  Fe5  1  0.765775  0.155625  0.380614  1
  Fe  Fe6  1  0.987631  0.599485  0.405492  1
  Fe  Fe7  1  0.209985  0.044321  0.430412  1
  Fe  Fe8  1  0.432014  0.488511  0.455430  1
  Fe  Fe9  1  0.654011  0.932643  0.480451  1
  Fe  Fe10  1  0.876104  0.376959  0.505439  1
  Fe  Fe11  1  0.098166  0.821219  0.530426  1
  Fe  Fe12  1  0.320049  0.265124  0.555437  1
  Fe  Fe13  1  0.542558  0.710259  0.580455  1
  Fe  Fe14  1  0.764222  0.153744  0.605363  1
  Fe  Fe15  1  0.985894  0.597213  0.630140  1
  Fe  Fe16  1  0.209321  0.044198  0.656317  1
  Fe  Fe17  1  0.430397  0.486422  0.679509  1
  Fe  Fe18  1  0.650025  0.925866  0.704492  1
  Ni  Ni19  1  0.212549  0.545941  0.318212  1
  Ni  Ni20  1  0.991475  0.100180  0.292352  1
  Ni  Ni21  1  0.379075  0.381958  0.280491  1
  Ni  Ni22  1  0.597558  0.818799  0.304876  1
  Ni  Ni23  1  0.709641  0.545919  0.318219  1
  Ni  Ni24  1  0.485107  0.100154  0.292347  1
  Ni  Ni25  1  0.654043  0.433376  0.367818  1
  Ni  Ni26  1  0.433848  0.989894  0.342933  1
  Ni  Ni27  1  0.820431  0.264712  0.330890  1
  Ni  Ni28  1  0.043999  0.711938  0.355889  1
  Ni  Ni29  1  0.155289  0.433381  0.367815  1
  Ni  Ni30  1  0.932221  0.989859  0.342938  1
  Ni  Ni31  1  0.099242  0.322103  0.417936  1
  Ni  Ni32  1  0.876699  0.877877  0.393003  1
  Ni  Ni33  1  0.265896  0.155862  0.380257  1
  Ni  Ni34  1  0.487839  0.599907  0.405364  1
  Ni  Ni35  1  0.598588  0.322100  0.417937  1
  Ni  Ni36  1  0.377007  0.877886  0.393000  1
  Ni  Ni37  1  0.542942  0.210580  0.467945  1
  Ni  Ni38  1  0.320924  0.766305  0.442939  1
  Ni  Ni39  1  0.709934  0.044223  0.430514  1
  Ni  Ni40  1  0.931937  0.488357  0.455460  1
  Ni  Ni41  1  0.043084  0.210580  0.467945  1
  Ni  Ni42  1  0.820968  0.766303  0.442941  1
  Ni  Ni43  1  0.987131  0.099033  0.517925  1
  Ni  Ni44  1  0.765043  0.654806  0.492941  1
  Ni  Ni45  1  0.154034  0.932687  0.480421  1
  Ni  Ni46  1  0.376094  0.376941  0.505441  1
  Ni  Ni47  1  0.487082  0.099033  0.517926  1
  Ni  Ni48  1  0.265075  0.654807  0.492941  1
  Ni  Ni49  1  0.430987  0.987589  0.567964  1
  Ni  Ni50  1  0.209338  0.543351  0.542938  1
  Ni  Ni51  1  0.598193  0.821275  0.530447  1
  Ni  Ni52  1  0.820113  0.265253  0.555384  1
  Ni  Ni53  1  0.931502  0.987594  0.567962  1
  Ni  Ni54  1  0.709065  0.543350  0.542938  1
  Ni  Ni55  1  0.876677  0.876996  0.618134  1
  Ni  Ni56  1  0.652879  0.431409  0.592809  1
  Ni  Ni57  1  0.042439  0.710012  0.580406  1
  Ni  Ni58  1  0.264161  0.153628  0.605662  1
  Ni  Ni59  1  0.374997  0.876984  0.618137  1
  Ni  Ni60  1  0.153309  0.431409  0.592810  1
  Ni  Ni61  1  0.316713  0.763630  0.667533  1
  Ni  Ni62  1  0.095870  0.319000  0.642890  1
  Ni  Ni63  1  0.486321  0.598065  0.630096  1
  Ni  Ni64  1  0.709373  0.044269  0.655530  1
  Ni  Ni65  1  0.821273  0.763645  0.667531  1
  Ni  Ni66  1  0.597616  0.319024  0.642887  1
  Ni  Ni67  1  0.753501  0.644470  0.717553  1
  Ni  Ni68  1  0.539705  0.210745  0.694404  1
  Ni  Ni69  1  0.930235  0.486072  0.679918  1
  Ni  Ni70  1  0.151835  0.929534  0.706030  1
  Ni  Ni71  1  0.265398  0.644573  0.717555  1
  Ni  Ni72  1  0.045245  0.210784  0.694405  1
