# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80082099
_cell_length_b   4.24187894
_cell_length_c   47.82905342
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.06042825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe22 Ni22'
_cell_volume   1131.65028208
_cell_formula_units_Z   22
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  0.191859  0.426907  0.315009  1
  Fe  Fe2  1  0.755788  0.587769  0.295471  1
  Fe  Fe3  1  0.057234  0.101598  0.354430  1
  Fe  Fe4  1  0.628086  0.260131  0.334936  1
  Fe  Fe5  1  0.922830  0.775578  0.394745  1
  Fe  Fe6  1  0.489641  0.938317  0.374707  1
  Fe  Fe7  1  0.787608  0.449818  0.434771  1
  Fe  Fe8  1  0.355010  0.612505  0.414756  1
  Fe  Fe9  1  0.652285  0.124393  0.474774  1
  Fe  Fe10  1  0.219860  0.287147  0.454740  1
  Fe  Fe11  1  0.517145  0.798813  0.514792  1
  Fe  Fe12  1  0.084736  0.961635  0.494787  1
  Fe  Fe13  1  0.382091  0.473174  0.554865  1
  Fe  Fe14  1  0.949685  0.635994  0.534825  1
  Fe  Fe15  1  0.246714  0.148027  0.594830  1
  Fe  Fe16  1  0.814361  0.310621  0.574846  1
  Fe  Fe17  1  0.112402  0.821935  0.634943  1
  Fe  Fe18  1  0.679029  0.985059  0.614719  1
  Fe  Fe19  1  0.975166  0.500765  0.674865  1
  Fe  Fe20  1  0.544461  0.658647  0.655216  1
  Fe  Fe21  1  0.845165  0.184692  0.713183  1
  Fe  Fe22  1  0.408178  0.337780  0.694689  1
  Ni  Ni23  1  0.977713  0.007220  0.304177  1
  Ni  Ni24  1  0.540043  0.173173  0.285526  1
  Ni  Ni25  1  0.841159  0.682604  0.344900  1
  Ni  Ni26  1  0.407710  0.845001  0.324712  1
  Ni  Ni27  1  0.706659  0.356752  0.384779  1
  Ni  Ni28  1  0.274262  0.519758  0.364705  1
  Ni  Ni29  1  0.571263  0.031140  0.424739  1
  Ni  Ni30  1  0.138661  0.194054  0.404650  1
  Ni  Ni31  1  0.436093  0.705762  0.464771  1
  Ni  Ni32  1  0.003695  0.868555  0.444764  1
  Ni  Ni33  1  0.300959  0.380222  0.504799  1
  Ni  Ni34  1  0.868576  0.542990  0.484790  1
  Ni  Ni35  1  0.165805  0.054606  0.544817  1
  Ni  Ni36  1  0.733367  0.217447  0.524810  1
  Ni  Ni37  1  0.030798  0.729214  0.584866  1
  Ni  Ni38  1  0.598156  0.891805  0.564793  1
  Ni  Ni39  1  0.895334  0.403956  0.624906  1
  Ni  Ni40  1  0.463165  0.566593  0.604963  1
  Ni  Ni41  1  0.759373  0.078371  0.664369  1
  Ni  Ni42  1  0.328028  0.240171  0.644839  1
  Ni  Ni43  1  0.626174  0.759678  0.704980  1
  Ni  Ni44  1  0.194423  0.915792  0.684836  1
