# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95473252
_cell_length_b   10.50278345
_cell_length_c   46.45360376
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.73133063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe81 Ni81'
_cell_volume   3870.28538122
_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  0.892893  0.524386  0.315602  1
  Fe  Fe2  1  0.226860  0.193105  0.316980  1
  Fe  Fe3  1  0.284436  0.564452  0.282460  1
  Fe  Fe4  1  0.559089  0.861392  0.316766  1
  Fe  Fe5  1  0.617598  0.233256  0.282815  1
  Fe  Fe6  1  0.589866  0.540783  0.298821  1
  Fe  Fe7  1  0.952058  0.900115  0.282555  1
  Fe  Fe8  1  0.920777  0.211139  0.299534  1
  Fe  Fe9  1  0.254530  0.877106  0.299513  1
  Fe  Fe10  1  0.797631  0.474755  0.366264  1
  Fe  Fe11  1  0.131015  0.141313  0.366559  1
  Fe  Fe12  1  0.193647  0.509261  0.333072  1
  Fe  Fe13  1  0.464275  0.807573  0.366262  1
  Fe  Fe14  1  0.527418  0.175683  0.333352  1
  Fe  Fe15  1  0.495400  0.492033  0.349600  1
  Fe  Fe16  1  0.861143  0.843583  0.333240  1
  Fe  Fe17  1  0.828769  0.158532  0.349806  1
  Fe  Fe18  1  0.162010  0.824922  0.349535  1
  Fe  Fe19  1  0.702616  0.423288  0.416396  1
  Fe  Fe20  1  0.036017  0.089708  0.416421  1
  Fe  Fe21  1  0.098877  0.457747  0.383029  1
  Fe  Fe22  1  0.369341  0.755981  0.416289  1
  Fe  Fe23  1  0.432191  0.124023  0.383084  1
  Fe  Fe24  1  0.400796  0.440712  0.399759  1
  Fe  Fe25  1  0.765720  0.790276  0.382838  1
  Fe  Fe26  1  0.734119  0.107038  0.399781  1
  Fe  Fe27  1  0.067263  0.773061  0.399530  1
  Fe  Fe28  1  0.607734  0.371441  0.466393  1
  Fe  Fe29  1  0.941092  0.037920  0.466363  1
  Fe  Fe30  1  0.004232  0.406011  0.433065  1
  Fe  Fe31  1  0.274441  0.704638  0.466375  1
  Fe  Fe32  1  0.337582  0.072338  0.433028  1
  Fe  Fe33  1  0.306015  0.388788  0.449751  1
  Fe  Fe34  1  0.671001  0.738878  0.432962  1
  Fe  Fe35  1  0.639341  0.055169  0.449703  1
  Fe  Fe36  1  0.972649  0.721781  0.449670  1
  Fe  Fe37  1  0.512910  0.319607  0.516380  1
  Fe  Fe38  1  0.846260  0.986429  0.516415  1
  Fe  Fe39  1  0.909455  0.354166  0.483058  1
  Fe  Fe40  1  0.179632  0.653026  0.516403  1
  Fe  Fe41  1  0.242776  0.020703  0.483030  1
  Fe  Fe42  1  0.211199  0.336887  0.499721  1
  Fe  Fe43  1  0.576167  0.687467  0.483054  1
  Fe  Fe44  1  0.544539  1.003568  0.499725  1
  Fe  Fe45  1  0.877869  0.670239  0.499725  1
  Fe  Fe46  1  0.418101  0.268017  0.566443  1
  Fe  Fe47  1  0.751432  0.934982  0.566471  1
  Fe  Fe48  1  0.814638  0.302394  0.533056  1
  Fe  Fe49  1  0.084847  0.601138  0.566363  1
  Fe  Fe50  1  0.147945  0.969254  0.533088  1
  Fe  Fe51  1  0.116405  0.285176  0.549743  1
  Fe  Fe52  1  0.481326  0.635744  0.533060  1
  Fe  Fe53  1  0.449758  0.952108  0.549784  1
  Fe  Fe54  1  0.783060  0.618382  0.549697  1
  Fe  Fe55  1  0.323358  0.216453  0.616548  1
  Fe  Fe56  1  0.656767  0.883389  0.616462  1
  Fe  Fe57  1  0.719756  0.250926  0.583147  1
  Fe  Fe58  1  0.990191  0.549253  0.616301  1
  Fe  Fe59  1  0.053018  0.917739  0.583092  1
  Fe  Fe60  1  0.021747  0.233776  0.599885  1
  Fe  Fe61  1  0.386424  0.583763  0.582988  1
  Fe  Fe62  1  0.355106  0.900627  0.599817  1
  Fe  Fe63  1  0.688277  0.566302  0.599615  1
  Fe  Fe64  1  0.228489  0.163348  0.666267  1
  Fe  Fe65  1  0.561410  0.830399  0.665980  1
  Fe  Fe66  1  0.624768  0.199491  0.633316  1
  Fe  Fe67  1  0.895578  0.497952  0.666220  1
  Fe  Fe68  1  0.958071  0.866132  0.632968  1
  Fe  Fe69  1  0.926852  0.182106  0.649990  1
  Fe  Fe70  1  0.291356  0.532340  0.633005  1
  Fe  Fe71  1  0.260204  0.848822  0.649717  1
  Fe  Fe72  1  0.593630  0.515040  0.649713  1
  Fe  Fe73  1  0.137356  0.107690  0.716989  1
  Fe  Fe74  1  0.470558  0.772126  0.716646  1
  Fe  Fe75  1  0.530485  0.147432  0.683602  1
  Fe  Fe76  1  0.805601  0.441953  0.716748  1
  Fe  Fe77  1  0.863329  0.812790  0.682326  1
  Fe  Fe78  1  0.832498  0.131786  0.700549  1
  Fe  Fe79  1  0.196229  0.483080  0.683616  1
  Fe  Fe80  1  0.168137  0.795152  0.699805  1
  Fe  Fe81  1  0.499285  0.465430  0.700516  1
  Ni  Ni82  1  0.708740  0.350652  0.325188  1
  Ni  Ni83  1  0.140675  0.075109  0.275899  1
  Ni  Ni84  1  0.108125  0.382532  0.291764  1
  Ni  Ni85  1  0.472919  0.740652  0.275841  1
  Ni  Ni86  1  0.437919  0.052849  0.291609  1
  Ni  Ni87  1  0.404007  0.368346  0.308352  1
  Ni  Ni88  1  0.769722  0.722109  0.291730  1
  Ni  Ni89  1  0.738781  0.036122  0.308080  1
  Ni  Ni90  1  0.072029  0.702475  0.307864  1
  Ni  Ni91  1  0.614900  0.299780  0.374831  1
  Ni  Ni92  1  0.042583  0.019179  0.324756  1
  Ni  Ni93  1  0.012174  0.333164  0.341406  1
  Ni  Ni94  1  0.377119  0.683883  0.324470  1
  Ni  Ni95  1  0.344362  1.000074  0.341195  1
  Ni  Ni96  1  0.313396  0.317208  0.358211  1
  Ni  Ni97  1  0.678233  0.666287  0.340788  1
  Ni  Ni98  1  0.646651  0.983701  0.358110  1
  Ni  Ni99  1  0.979183  0.649294  0.357583  1
  Ni  Ni100  1  0.519981  0.247907  0.424748  1
  Ni  Ni101  1  0.948503  0.966227  0.374788  1
  Ni  Ni102  1  0.916631  0.282375  0.391411  1
  Ni  Ni103  1  0.281339  0.632720  0.374582  1
  Ni  Ni104  1  0.250140  0.948363  0.391320  1
  Ni  Ni105  1  0.218337  0.265303  0.408127  1
  Ni  Ni106  1  0.583486  0.615330  0.391185  1
  Ni  Ni107  1  0.551777  0.931339  0.408017  1
  Ni  Ni108  1  0.885046  0.598276  0.407935  1
  Ni  Ni109  1  0.425242  0.196050  0.474716  1
  Ni  Ni110  1  0.853398  0.914109  0.424659  1
  Ni  Ni111  1  0.821803  0.230644  0.441402  1
  Ni  Ni112  1  0.186703  0.581149  0.424694  1
  Ni  Ni113  1  0.155135  0.896845  0.441306  1
  Ni  Ni114  1  0.123538  0.213370  0.458074  1
  Ni  Ni115  1  0.488584  0.563959  0.441362  1
  Ni  Ni116  1  0.456880  0.879786  0.458016  1
  Ni  Ni117  1  0.790265  0.546714  0.458042  1
  Ni  Ni118  1  0.330452  0.144415  0.524738  1
  Ni  Ni119  1  0.758598  0.862649  0.474696  1
  Ni  Ni120  1  0.726986  0.178824  0.491389  1
  Ni  Ni121  1  0.091947  0.529474  0.474729  1
  Ni  Ni122  1  0.060338  0.845481  0.491373  1
  Ni  Ni123  1  0.028706  0.161615  0.508070  1
  Ni  Ni124  1  0.393693  0.512220  0.491392  1
  Ni  Ni125  1  0.362084  0.828347  0.508071  1
  Ni  Ni126  1  0.695390  0.494915  0.508047  1
  Ni  Ni127  1  0.235636  0.092950  0.574791  1
  Ni  Ni128  1  0.663830  0.811151  0.524745  1
  Ni  Ni129  1  0.632160  0.127289  0.541440  1
  Ni  Ni130  1  -0.002870  0.477638  0.524712  1
  Ni  Ni131  1  0.965544  0.793907  0.541398  1
  Ni  Ni132  1  0.933862  0.110211  0.558147  1
  Ni  Ni133  1  0.298819  0.460320  0.541374  1
  Ni  Ni134  1  0.267308  0.776770  0.558087  1
  Ni  Ni135  1  0.600520  0.443024  0.558040  1
  Ni  Ni136  1  0.140708  0.041066  0.624789  1
  Ni  Ni137  1  0.569055  0.759430  0.574721  1
  Ni  Ni138  1  0.537323  0.075869  0.591528  1
  Ni  Ni139  1  0.902371  0.425766  0.574712  1
  Ni  Ni140  1  0.870700  0.742065  0.591325  1
  Ni  Ni141  1  0.838839  0.058861  0.608238  1
  Ni  Ni142  1  0.204080  0.408557  0.591430  1
  Ni  Ni143  1  0.172381  0.725024  0.607999  1
  Ni  Ni144  1  0.505687  0.391514  0.608159  1
  Ni  Ni145  1  0.045648  0.988787  0.674924  1
  Ni  Ni146  1  0.473940  0.707267  0.624540  1
  Ni  Ni147  1  0.443136  0.024213  0.641721  1
  Ni  Ni148  1  0.807664  0.374147  0.624826  1
  Ni  Ni149  1  0.775680  0.689729  0.641139  1
  Ni  Ni150  1  0.744537  0.007155  0.658492  1
  Ni  Ni151  1  0.109831  0.357580  0.641708  1
  Ni  Ni152  1  0.077196  0.673654  0.657897  1
  Ni  Ni153  1  0.410041  0.340912  0.658326  1
  Ni  Ni154  1  0.948911  0.931576  0.723503  1
  Ni  Ni155  1  0.380630  0.655573  0.674192  1
  Ni  Ni156  1  0.350378  0.970399  0.691499  1
  Ni  Ni157  1  0.712462  0.323928  0.674689  1
  Ni  Ni158  1  0.685181  0.638288  0.691031  1
  Ni  Ni159  1  0.652320  0.949861  0.707646  1
  Ni  Ni160  1  0.018637  0.304944  0.691284  1
  Ni  Ni161  1  0.980824  0.623360  0.707640  1
  Ni  Ni162  1  0.316119  0.286765  0.707433  1
