# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97597488
_cell_length_b   7.84432892
_cell_length_c   46.82950514
_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   1734.10263474
_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  0.879188  0.382793  0.281777  1
  Fe  Fe2  1  0.098240  0.820735  0.306371  1
  Fe  Fe3  1  0.320786  0.266059  0.331799  1
  Fe  Fe4  1  0.543176  0.711042  0.356669  1
  Fe  Fe5  1  0.764752  0.154388  0.381484  1
  Fe  Fe6  1  0.987063  0.599194  0.406655  1
  Fe  Fe7  1  0.209009  0.043272  0.431645  1
  Fe  Fe8  1  0.431045  0.487534  0.456697  1
  Fe  Fe9  1  0.653097  0.931825  0.481744  1
  Fe  Fe10  1  0.875140  0.376098  0.506785  1
  Fe  Fe11  1  0.097179  0.820367  0.531827  1
  Fe  Fe12  1  0.319184  0.264564  0.556845  1
  Fe  Fe13  1  0.541330  0.709037  0.581955  1
  Fe  Fe14  1  0.763144  0.152861  0.606964  1
  Fe  Fe15  1  0.985383  0.597520  0.631833  1
  Fe  Fe16  1  0.207594  0.042157  0.657181  1
  Fe  Fe17  1  0.429227  0.485547  0.681301  1
  Fe  Fe18  1  0.650501  0.928371  0.707032  1
  Ni  Ni19  1  0.210159  0.543491  0.319609  1
  Ni  Ni20  1  0.989459  0.103151  0.294428  1
  Ni  Ni21  1  0.377820  0.380058  0.282830  1
  Ni  Ni22  1  0.598599  0.821454  0.306657  1
  Ni  Ni23  1  0.708891  0.543498  0.319607  1
  Ni  Ni24  1  0.489469  0.103166  0.294425  1
  Ni  Ni25  1  0.654148  0.432767  0.369126  1
  Ni  Ni26  1  0.431629  0.987715  0.343714  1
  Ni  Ni27  1  0.820767  0.266025  0.331464  1
  Ni  Ni28  1  0.043232  0.711157  0.356597  1
  Ni  Ni29  1  0.153833  0.432765  0.369126  1
  Ni  Ni30  1  0.931512  0.987716  0.343715  1
  Ni  Ni31  1  0.097898  0.320969  0.419127  1
  Ni  Ni32  1  0.876024  0.877103  0.394073  1
  Ni  Ni33  1  0.264739  0.154355  0.381503  1
  Ni  Ni34  1  0.486997  0.599061  0.406648  1
  Ni  Ni35  1  0.597908  0.320969  0.419127  1
  Ni  Ni36  1  0.376107  0.877103  0.394073  1
  Ni  Ni37  1  0.542063  0.209673  0.469220  1
  Ni  Ni38  1  0.320086  0.765512  0.444182  1
  Ni  Ni39  1  0.709028  0.043312  0.431657  1
  Ni  Ni40  1  0.931039  0.487522  0.456693  1
  Ni  Ni41  1  0.042073  0.209673  0.469220  1
  Ni  Ni42  1  0.820077  0.765513  0.444182  1
  Ni  Ni43  1  0.986132  0.098190  0.519302  1
  Ni  Ni44  1  0.764121  0.653960  0.494261  1
  Ni  Ni45  1  0.153103  0.931836  0.481741  1
  Ni  Ni46  1  0.375144  0.376106  0.506785  1
  Ni  Ni47  1  0.486146  0.098190  0.519302  1
  Ni  Ni48  1  0.264114  0.653960  0.494261  1
  Ni  Ni49  1  0.430251  0.986729  0.569391  1
  Ni  Ni50  1  0.208223  0.542549  0.544353  1
  Ni  Ni51  1  0.597163  0.820334  0.531829  1
  Ni  Ni52  1  0.819177  0.264549  0.556861  1
  Ni  Ni53  1  0.930189  0.986729  0.569392  1
  Ni  Ni54  1  0.708227  0.542549  0.544353  1
  Ni  Ni55  1  0.874444  0.875826  0.619581  1
  Ni  Ni56  1  0.652182  0.430849  0.594393  1
  Ni  Ni57  1  0.041385  0.709149  0.581925  1
  Ni  Ni58  1  0.263197  0.152968  0.606916  1
  Ni  Ni59  1  0.374714  0.875828  0.619581  1
  Ni  Ni60  1  0.152192  0.430848  0.594393  1
  Ni  Ni61  1  0.318423  0.764003  0.669562  1
  Ni  Ni62  1  0.095706  0.318585  0.644434  1
  Ni  Ni63  1  0.485270  0.597300  0.631967  1
  Ni  Ni64  1  0.707682  0.042330  0.657434  1
  Ni  Ni65  1  0.818518  0.763995  0.669563  1
  Ni  Ni66  1  0.596030  0.318582  0.644433  1
  Ni  Ni67  1  0.760091  0.647019  0.718308  1
  Ni  Ni68  1  0.540612  0.209808  0.694443  1
  Ni  Ni69  1  0.929502  0.486103  0.681446  1
  Ni  Ni70  1  0.149728  0.926802  0.706680  1
  Ni  Ni71  1  0.259894  0.646990  0.718309  1
  Ni  Ni72  1  0.041857  0.209798  0.694445  1
