# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85744485
_cell_length_b   10.28618349
_cell_length_c   46.04469179
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.69475876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe81 Ni81'
_cell_volume   3710.97462908
_cell_formula_units_Z   81
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  0.897919  0.525201  0.311008  1
  Fe  Fe2  1  0.231453  0.188284  0.310982  1
  Fe  Fe3  1  0.292852  0.563352  0.277915  1
  Fe  Fe4  1  0.564879  0.860333  0.312285  1
  Fe  Fe5  1  0.627808  0.234340  0.278070  1
  Fe  Fe6  1  0.599912  0.537109  0.293489  1
  Fe  Fe7  1  0.960809  0.901775  0.278148  1
  Fe  Fe8  1  0.932459  0.205592  0.293885  1
  Fe  Fe9  1  0.262360  0.879547  0.294721  1
  Fe  Fe10  1  0.803847  0.472086  0.361703  1
  Fe  Fe11  1  0.136637  0.139320  0.362047  1
  Fe  Fe12  1  0.198419  0.509153  0.328485  1
  Fe  Fe13  1  0.470439  0.804984  0.361825  1
  Fe  Fe14  1  0.531828  0.174493  0.328660  1
  Fe  Fe15  1  0.501516  0.488747  0.344878  1
  Fe  Fe16  1  0.864952  0.841306  0.328694  1
  Fe  Fe17  1  0.834813  0.156042  0.345403  1
  Fe  Fe18  1  0.168733  0.821705  0.345140  1
  Fe  Fe19  1  0.708504  0.419183  0.411787  1
  Fe  Fe20  1  0.041776  0.086084  0.411834  1
  Fe  Fe21  1  0.104643  0.454566  0.378332  1
  Fe  Fe22  1  0.375374  0.752294  0.411697  1
  Fe  Fe23  1  0.437806  0.122154  0.378638  1
  Fe  Fe24  1  0.406536  0.436249  0.394998  1
  Fe  Fe25  1  0.770907  0.787189  0.378301  1
  Fe  Fe26  1  0.740244  0.104032  0.395290  1
  Fe  Fe27  1  0.073434  0.769435  0.395002  1
  Fe  Fe28  1  0.613820  0.366607  0.461820  1
  Fe  Fe29  1  0.947144  0.032800  0.461671  1
  Fe  Fe30  1  0.010147  0.401916  0.428483  1
  Fe  Fe31  1  0.280579  0.699600  0.461689  1
  Fe  Fe32  1  0.343399  0.068405  0.428433  1
  Fe  Fe33  1  0.312015  0.384161  0.445163  1
  Fe  Fe34  1  0.676722  0.734643  0.428307  1
  Fe  Fe35  1  0.645486  0.050623  0.445080  1
  Fe  Fe36  1  0.978769  0.717058  0.445014  1
  Fe  Fe37  1  0.519180  0.313512  0.511695  1
  Fe  Fe38  1  0.852529  0.979922  0.511623  1
  Fe  Fe39  1  0.915598  0.349076  0.478465  1
  Fe  Fe40  1  0.185928  0.647108  0.511770  1
  Fe  Fe41  1  0.248883  0.015239  0.478320  1
  Fe  Fe42  1  0.217355  0.331249  0.495076  1
  Fe  Fe43  1  0.582171  0.682067  0.478365  1
  Fe  Fe44  1  0.550793  0.997639  0.494981  1
  Fe  Fe45  1  0.884034  0.664564  0.495067  1
  Fe  Fe46  1  0.424657  0.260413  0.561593  1
  Fe  Fe47  1  0.757942  0.927347  0.561678  1
  Fe  Fe48  1  0.820995  0.295956  0.528335  1
  Fe  Fe49  1  0.091360  0.594278  0.561751  1
  Fe  Fe50  1  0.154258  0.962416  0.528290  1
  Fe  Fe51  1  0.122698  0.278156  0.544936  1
  Fe  Fe52  1  0.487569  0.629558  0.528443  1
  Fe  Fe53  1  0.456107  0.944951  0.544974  1
  Fe  Fe54  1  0.789313  0.611911  0.545078  1
  Fe  Fe55  1  0.330161  0.207004  0.611531  1
  Fe  Fe56  1  0.663512  0.875210  0.611886  1
  Fe  Fe57  1  0.726388  0.242919  0.578243  1
  Fe  Fe58  1  -0.002880  0.541150  0.611595  1
  Fe  Fe59  1  0.059530  0.910018  0.578360  1
  Fe  Fe60  1  0.027974  0.225083  0.594847  1
  Fe  Fe61  1  0.392832  0.576469  0.578337  1
  Fe  Fe62  1  0.361596  0.893027  0.595150  1
  Fe  Fe63  1  0.694505  0.558762  0.594897  1
  Fe  Fe64  1  0.236073  0.154383  0.661586  1
  Fe  Fe65  1  0.569362  0.820168  0.661602  1
  Fe  Fe66  1  0.631460  0.189596  0.628162  1
  Fe  Fe67  1  0.902870  0.488705  0.661438  1
  Fe  Fe68  1  0.964228  0.857402  0.628430  1
  Fe  Fe69  1  0.933520  0.172646  0.644905  1
  Fe  Fe70  1  0.298062  0.523506  0.628107  1
  Fe  Fe71  1  0.266561  0.840405  0.645178  1
  Fe  Fe72  1  0.599642  0.506825  0.644799  1
  Fe  Fe73  1  0.141548  0.098108  0.712208  1
  Fe  Fe74  1  0.474713  0.765012  0.712231  1
  Fe  Fe75  1  0.536488  0.140467  0.679311  1
  Fe  Fe76  1  0.807318  0.427651  0.711974  1
  Fe  Fe77  1  0.869433  0.801510  0.678105  1
  Fe  Fe78  1  0.834544  0.125943  0.696724  1
  Fe  Fe79  1  0.202558  0.470264  0.677837  1
  Fe  Fe80  1  0.171863  0.787209  0.695454  1
  Fe  Fe81  1  0.506083  0.450373  0.695374  1
  Ni  Ni82  1  0.718394  0.348233  0.320279  1
  Ni  Ni83  1  0.048554  0.015865  0.320798  1
  Ni  Ni84  1  0.112397  0.384817  0.287030  1
  Ni  Ni85  1  0.479031  0.738060  0.271434  1
  Ni  Ni86  1  0.449297  0.052008  0.286573  1
  Ni  Ni87  1  0.410275  0.367044  0.303378  1
  Ni  Ni88  1  0.778303  0.721271  0.286728  1
  Ni  Ni89  1  0.744724  0.035285  0.303525  1
  Ni  Ni90  1  0.079561  0.702653  0.302991  1
  Ni  Ni91  1  0.620861  0.296806  0.370139  1
  Ni  Ni92  1  0.954372  0.962917  0.370287  1
  Ni  Ni93  1  0.017826  0.330913  0.336514  1
  Ni  Ni94  1  0.383876  0.682515  0.320024  1
  Ni  Ni95  1  0.350208  0.998491  0.337185  1
  Ni  Ni96  1  0.317423  0.314302  0.353169  1
  Ni  Ni97  1  0.682919  0.663960  0.336326  1
  Ni  Ni98  1  0.651899  0.981825  0.353821  1
  Ni  Ni99  1  0.984437  0.647596  0.353235  1
  Ni  Ni100  1  0.526039  0.244011  0.420227  1
  Ni  Ni101  1  0.859331  0.910051  0.420005  1
  Ni  Ni102  1  0.922530  0.279382  0.386830  1
  Ni  Ni103  1  0.288048  0.629421  0.370091  1
  Ni  Ni104  1  0.255832  0.945460  0.386790  1
  Ni  Ni105  1  0.223890  0.261876  0.403556  1
  Ni  Ni106  1  0.589110  0.611548  0.386627  1
  Ni  Ni107  1  0.557534  0.928202  0.403441  1
  Ni  Ni108  1  0.890809  0.594524  0.403382  1
  Ni  Ni109  1  0.431369  0.190894  0.470076  1
  Ni  Ni110  1  0.764693  0.857303  0.469977  1
  Ni  Ni111  1  0.827928  0.226410  0.436858  1
  Ni  Ni112  1  0.192915  0.576804  0.420043  1
  Ni  Ni113  1  0.161128  0.892532  0.436656  1
  Ni  Ni114  1  0.129483  0.208672  0.453459  1
  Ni  Ni115  1  0.494409  0.559260  0.436692  1
  Ni  Ni116  1  0.462941  0.875076  0.453338  1
  Ni  Ni117  1  0.796147  0.541955  0.453424  1
  Ni  Ni118  1  0.336732  0.137893  0.519958  1
  Ni  Ni119  1  0.670046  0.804729  0.520027  1
  Ni  Ni120  1  0.733269  0.173254  0.486707  1
  Ni  Ni121  1  0.098091  0.524415  0.470118  1
  Ni  Ni122  1  0.066534  0.839765  0.486655  1
  Ni  Ni123  1  0.034888  0.155544  0.503316  1
  Ni  Ni124  1  0.399806  0.506809  0.486784  1
  Ni  Ni125  1  0.368312  0.822306  0.503342  1
  Ni  Ni126  1  0.701521  0.489252  0.503439  1
  Ni  Ni127  1  0.242028  0.085086  0.569896  1
  Ni  Ni128  1  0.575324  0.752349  0.570125  1
  Ni  Ni129  1  0.638646  0.120270  0.536610  1
  Ni  Ni130  1  0.003434  0.471654  0.520092  1
  Ni  Ni131  1  0.971886  0.787175  0.536719  1
  Ni  Ni132  1  0.940223  0.102650  0.553245  1
  Ni  Ni133  1  0.305183  0.453833  0.536702  1
  Ni  Ni134  1  0.273716  0.769862  0.553451  1
  Ni  Ni135  1  0.606887  0.436148  0.553317  1
  Ni  Ni136  1  0.147260  0.032441  0.620020  1
  Ni  Ni137  1  0.480183  0.699564  0.619916  1
  Ni  Ni138  1  0.544117  0.067417  0.586584  1
  Ni  Ni139  1  0.908860  0.418574  0.569968  1
  Ni  Ni140  1  0.877140  0.734536  0.586723  1
  Ni  Ni141  1  0.845645  0.050018  0.603339  1
  Ni  Ni142  1  0.210673  0.400506  0.586563  1
  Ni  Ni143  1  0.178983  0.717409  0.603406  1
  Ni  Ni144  1  0.512344  0.383042  0.603246  1
  Ni  Ni145  1  0.050090  0.980563  0.670052  1
  Ni  Ni146  1  0.385654  0.645775  0.669813  1
  Ni  Ni147  1  0.450513  0.014995  0.637040  1
  Ni  Ni148  1  0.814036  0.365742  0.619853  1
  Ni  Ni149  1  0.782722  0.680907  0.636414  1
  Ni  Ni150  1  0.750919  0.998444  0.653921  1
  Ni  Ni151  1  0.116065  0.347312  0.636378  1
  Ni  Ni152  1  0.085422  0.664405  0.653252  1
  Ni  Ni153  1  0.417559  0.330619  0.653026  1
  Ni  Ni154  1  0.953885  0.924917  0.718932  1
  Ni  Ni155  1  0.289014  0.590197  0.718911  1
  Ni  Ni156  1  0.356247  0.961708  0.686957  1
  Ni  Ni157  1  0.719326  0.313566  0.669306  1
  Ni  Ni158  1  0.688129  0.626514  0.687039  1
  Ni  Ni159  1  0.656389  0.943299  0.703240  1
  Ni  Ni160  1  0.023480  0.294722  0.686547  1
  Ni  Ni161  1  0.988644  0.609594  0.703578  1
  Ni  Ni162  1  0.319328  0.278825  0.703468  1
