# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90898230
_cell_length_b   11.24399236
_cell_length_c   47.72066829
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.90228432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe99 Ni99'
_cell_volume   4636.32564532
_cell_formula_units_Z   99
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  0.273058  0.099681  0.319943  1
  Fe  Fe2  1  0.736875  0.839838  0.280407  1
  Fe  Fe3  1  0.649982  0.122900  0.306308  1
  Fe  Fe4  1  0.026197  0.150761  0.293266  1
  Fe  Fe5  1  0.360537  0.816080  0.293178  1
  Fe  Fe6  1  0.693206  0.481218  0.293021  1
  Fe  Fe7  1  0.070058  0.506738  0.280395  1
  Fe  Fe8  1  0.984348  0.789365  0.306663  1
  Fe  Fe9  1  0.317299  0.458706  0.307011  1
  Fe  Fe10  1  0.141243  0.028022  0.360418  1
  Fe  Fe11  1  0.605667  0.767053  0.320387  1
  Fe  Fe12  1  0.518764  0.051747  0.347129  1
  Fe  Fe13  1  0.895559  0.076421  0.333926  1
  Fe  Fe14  1  0.229344  0.742340  0.333882  1
  Fe  Fe15  1  0.562182  0.410008  0.334075  1
  Fe  Fe16  1  0.940245  0.431426  0.320037  1
  Fe  Fe17  1  0.851779  0.718926  0.347228  1
  Fe  Fe18  1  0.185535  0.385222  0.347141  1
  Fe  Fe19  1  0.009477  0.956741  0.400409  1
  Fe  Fe20  1  0.474907  0.694403  0.360440  1
  Fe  Fe21  1  0.386645  0.980686  0.387172  1
  Fe  Fe22  1  0.764037  0.004575  0.373880  1
  Fe  Fe23  1  0.097003  0.671332  0.373893  1
  Fe  Fe24  1  0.430535  0.337745  0.373787  1
  Fe  Fe25  1  0.807923  0.361101  0.360425  1
  Fe  Fe26  1  0.720181  0.647288  0.387119  1
  Fe  Fe27  1  0.053484  0.313995  0.387140  1
  Fe  Fe28  1  0.877484  0.885651  0.440469  1
  Fe  Fe29  1  0.342698  0.623579  0.400483  1
  Fe  Fe30  1  0.254833  0.909321  0.427129  1
  Fe  Fe31  1  0.631989  0.933208  0.413805  1
  Fe  Fe32  1  0.965324  0.599719  0.413743  1
  Fe  Fe33  1  0.298729  0.266400  0.413745  1
  Fe  Fe34  1  0.676002  0.290016  0.400384  1
  Fe  Fe35  1  0.588188  0.576086  0.427157  1
  Fe  Fe36  1  0.921482  0.242733  0.427134  1
  Fe  Fe37  1  0.745647  0.814326  0.480460  1
  Fe  Fe38  1  0.210823  0.552265  0.440455  1
  Fe  Fe39  1  0.122909  0.838093  0.467143  1
  Fe  Fe40  1  0.500224  0.861824  0.453787  1
  Fe  Fe41  1  0.833547  0.528471  0.453778  1
  Fe  Fe42  1  0.166858  0.195183  0.453781  1
  Fe  Fe43  1  0.544171  0.218883  0.440436  1
  Fe  Fe44  1  0.456264  0.504744  0.467127  1
  Fe  Fe45  1  0.789619  0.171404  0.467128  1
  Fe  Fe46  1  0.613772  0.743035  0.520456  1
  Fe  Fe47  1  0.078976  0.480968  0.480454  1
  Fe  Fe48  1  0.991041  0.766809  0.507136  1
  Fe  Fe49  1  0.368336  0.790565  0.493797  1
  Fe  Fe50  1  0.701665  0.457224  0.493787  1
  Fe  Fe51  1  0.035030  0.123873  0.493778  1
  Fe  Fe52  1  0.412277  0.147657  0.480457  1
  Fe  Fe53  1  0.324397  0.433455  0.507122  1
  Fe  Fe54  1  0.657701  0.100125  0.507121  1
  Fe  Fe55  1  0.481892  0.671791  0.560469  1
  Fe  Fe56  1  0.947070  0.409706  0.520457  1
  Fe  Fe57  1  0.859202  0.695529  0.547142  1
  Fe  Fe58  1  0.236431  0.719283  0.533791  1
  Fe  Fe59  1  0.569811  0.385939  0.533779  1
  Fe  Fe60  1  0.903128  0.052597  0.533771  1
  Fe  Fe61  1  0.280437  0.076340  0.520447  1
  Fe  Fe62  1  0.192498  0.362217  0.547135  1
  Fe  Fe63  1  0.525853  0.028830  0.547126  1
  Fe  Fe64  1  0.350023  0.600565  0.600472  1
  Fe  Fe65  1  0.815249  0.338361  0.560439  1
  Fe  Fe66  1  0.727413  0.624348  0.587202  1
  Fe  Fe67  1  0.104518  0.647922  0.573764  1
  Fe  Fe68  1  0.437845  0.314658  0.573761  1
  Fe  Fe69  1  0.771218  0.981344  0.573783  1
  Fe  Fe70  1  0.148573  0.005074  0.560457  1
  Fe  Fe71  1  0.060808  0.290851  0.587133  1
  Fe  Fe72  1  0.394069  0.957510  0.587135  1
  Fe  Fe73  1  0.217605  0.529870  0.640506  1
  Fe  Fe74  1  0.683243  0.267130  0.600429  1
  Fe  Fe75  1  0.595879  0.552822  0.627096  1
  Fe  Fe76  1  0.972454  0.576733  0.613810  1
  Fe  Fe77  1  0.305976  0.243338  0.613758  1
  Fe  Fe78  1  0.639329  0.909969  0.613733  1
  Fe  Fe79  1  0.016596  0.934040  0.600538  1
  Fe  Fe80  1  0.929048  0.219289  0.626983  1
  Fe  Fe81  1  0.262188  0.886196  0.627091  1
  Fe  Fe82  1  0.085753  0.458587  0.680788  1
  Fe  Fe83  1  0.551006  0.196205  0.640493  1
  Fe  Fe84  1  0.463877  0.481080  0.666855  1
  Fe  Fe85  1  0.840923  0.505006  0.653715  1
  Fe  Fe86  1  0.174317  0.171910  0.653721  1
  Fe  Fe87  1  0.507283  0.838827  0.653766  1
  Fe  Fe88  1  0.884589  0.862821  0.640544  1
  Fe  Fe89  1  0.797246  0.147951  0.667009  1
  Fe  Fe90  1  0.130978  0.813685  0.666812  1
  Fe  Fe91  1  0.955435  0.384032  0.720403  1
  Fe  Fe92  1  0.419307  0.123943  0.680889  1
  Fe  Fe93  1  0.332954  0.409169  0.707769  1
  Fe  Fe94  1  0.709141  0.432189  0.693864  1
  Fe  Fe95  1  0.043446  0.101365  0.694628  1
  Fe  Fe96  1  0.377134  0.765527  0.694208  1
  Fe  Fe97  1  0.751215  0.792749  0.681376  1
  Fe  Fe98  1  0.666407  0.072933  0.707537  1
  Fe  Fe99  1  1.000174  0.741332  0.707708  1
  Ni  Ni100  1  0.547150  0.326129  0.287976  1
  Ni  Ni101  1  0.884088  0.992752  0.287508  1
  Ni  Ni102  1  0.794014  0.278348  0.313507  1
  Ni  Ni103  1  0.175243  0.302783  0.300149  1
  Ni  Ni104  1  0.504522  0.970364  0.300287  1
  Ni  Ni105  1  0.837292  0.636140  0.300391  1
  Ni  Ni106  1  0.216300  0.660147  0.287339  1
  Ni  Ni107  1  0.128162  0.945026  0.313498  1
  Ni  Ni108  1  0.462708  0.612172  0.313408  1
  Ni  Ni109  1  0.417979  0.253961  0.327070  1
  Ni  Ni110  1  0.751656  0.920991  0.327360  1
  Ni  Ni111  1  0.662894  0.206660  0.353602  1
  Ni  Ni112  1  0.041009  0.230385  0.340527  1
  Ni  Ni113  1  0.373685  0.897127  0.340556  1
  Ni  Ni114  1  0.708015  0.563594  0.340405  1
  Ni  Ni115  1  0.083765  0.587554  0.327398  1
  Ni  Ni116  1  0.996535  0.873456  0.353636  1
  Ni  Ni117  1  0.329541  0.540357  0.353829  1
  Ni  Ni118  1  0.285895  0.182653  0.367028  1
  Ni  Ni119  1  0.619091  0.849647  0.367130  1
  Ni  Ni120  1  0.531276  0.135442  0.393761  1
  Ni  Ni121  1  0.908785  0.159216  0.380500  1
  Ni  Ni122  1  0.242135  0.825805  0.380470  1
  Ni  Ni123  1  0.575504  0.492570  0.380558  1
  Ni  Ni124  1  0.952500  0.515958  0.366975  1
  Ni  Ni125  1  0.864552  0.802268  0.393824  1
  Ni  Ni126  1  0.197957  0.468838  0.393786  1
  Ni  Ni127  1  0.154036  0.111623  0.407107  1
  Ni  Ni128  1  0.487479  0.778280  0.407113  1
  Ni  Ni129  1  0.399428  0.064181  0.433804  1
  Ni  Ni130  1  0.776865  0.087914  0.420484  1
  Ni  Ni131  1  0.110066  0.754595  0.420500  1
  Ni  Ni132  1  0.443468  0.421207  0.420458  1
  Ni  Ni133  1  0.820741  0.444900  0.407096  1
  Ni  Ni134  1  0.732855  0.730839  0.433793  1
  Ni  Ni135  1  0.066182  0.397492  0.433789  1
  Ni  Ni136  1  0.022228  0.040359  0.447105  1
  Ni  Ni137  1  0.355523  0.707058  0.447138  1
  Ni  Ni138  1  0.267618  0.992856  0.473787  1
  Ni  Ni139  1  0.644877  0.016639  0.460465  1
  Ni  Ni140  1  0.978210  0.683271  0.460451  1
  Ni  Ni141  1  0.311584  0.349932  0.460441  1
  Ni  Ni142  1  0.688831  0.373670  0.447096  1
  Ni  Ni143  1  0.600968  0.659546  0.473801  1
  Ni  Ni144  1  0.934270  0.326207  0.473791  1
  Ni  Ni145  1  0.890317  0.969109  0.487123  1
  Ni  Ni146  1  0.223638  0.635767  0.487125  1
  Ni  Ni147  1  0.135735  0.921583  0.513798  1
  Ni  Ni148  1  0.513034  0.945335  0.500456  1
  Ni  Ni149  1  0.846370  0.612007  0.500459  1
  Ni  Ni150  1  0.179689  0.278683  0.500456  1
  Ni  Ni151  1  0.556989  0.302422  0.487110  1
  Ni  Ni152  1  0.469073  0.588261  0.513798  1
  Ni  Ni153  1  0.802415  0.254904  0.513782  1
  Ni  Ni154  1  0.758454  0.897817  0.527124  1
  Ni  Ni155  1  0.091766  0.564468  0.527115  1
  Ni  Ni156  1  0.003849  0.850353  0.553824  1
  Ni  Ni157  1  0.381161  0.874059  0.540460  1
  Ni  Ni158  1  0.714502  0.540769  0.540480  1
  Ni  Ni159  1  0.047870  0.207384  0.540448  1
  Ni  Ni160  1  0.425088  0.231146  0.527113  1
  Ni  Ni161  1  0.337212  0.516993  0.553797  1
  Ni  Ni162  1  0.670490  0.183624  0.553776  1
  Ni  Ni163  1  0.626610  0.826497  0.567108  1
  Ni  Ni164  1  0.959853  0.493183  0.567130  1
  Ni  Ni165  1  0.872006  0.779121  0.593831  1
  Ni  Ni166  1  0.249189  0.802809  0.580449  1
  Ni  Ni167  1  0.582658  0.469478  0.580441  1
  Ni  Ni168  1  0.915939  0.136075  0.580404  1
  Ni  Ni169  1  0.293273  0.159814  0.567105  1
  Ni  Ni170  1  0.205225  0.445797  0.593823  1
  Ni  Ni171  1  0.538603  0.112386  0.593802  1
  Ni  Ni172  1  0.494827  0.755182  0.607138  1
  Ni  Ni173  1  0.828211  0.421719  0.607087  1
  Ni  Ni174  1  0.740261  0.708171  0.634002  1
  Ni  Ni175  1  0.117096  0.731497  0.620357  1
  Ni  Ni176  1  0.450447  0.398235  0.620377  1
  Ni  Ni177  1  0.783852  0.064883  0.620437  1
  Ni  Ni178  1  0.161576  0.088433  0.607112  1
  Ni  Ni179  1  0.073720  0.374524  0.633878  1
  Ni  Ni180  1  0.406992  0.041159  0.633839  1
  Ni  Ni181  1  0.363416  0.683696  0.647146  1
  Ni  Ni182  1  0.696447  0.350183  0.647080  1
  Ni  Ni183  1  0.609166  0.636507  0.673784  1
  Ni  Ni184  1  0.984141  0.660650  0.660514  1
  Ni  Ni185  1  0.318237  0.327287  0.660428  1
  Ni  Ni186  1  0.651875  0.993763  0.660315  1
  Ni  Ni187  1  0.029771  0.017249  0.647320  1
  Ni  Ni188  1  0.942077  0.302796  0.673468  1
  Ni  Ni189  1  0.274498  0.969825  0.673786  1
  Ni  Ni190  1  0.231266  0.611995  0.687436  1
  Ni  Ni191  1  0.563910  0.278456  0.687416  1
  Ni  Ni192  1  0.479239  0.563808  0.713008  1
  Ni  Ni193  1  0.851456  0.588459  0.700694  1
  Ni  Ni194  1  0.188624  0.254525  0.700550  1
  Ni  Ni195  1  0.517198  0.921624  0.700545  1
  Ni  Ni196  1  0.899164  0.945679  0.687345  1
  Ni  Ni197  1  0.808989  0.230395  0.713481  1
  Ni  Ni198  1  0.144819  0.897612  0.712849  1
