# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85918316
_cell_length_b   10.28368052
_cell_length_c   46.05017167
_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   3711.33405067
_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  0.708886  0.348748  0.322962  1
  Fe  Fe2  1  0.139427  0.074999  0.272626  1
  Fe  Fe3  1  0.109103  0.377797  0.288216  1
  Fe  Fe4  1  0.469950  0.741376  0.272751  1
  Fe  Fe5  1  0.443084  0.045806  0.288469  1
  Fe  Fe6  1  0.408338  0.364708  0.305618  1
  Fe  Fe7  1  0.773160  0.721012  0.288911  1
  Fe  Fe8  1  0.741139  0.028554  0.305737  1
  Fe  Fe9  1  0.074153  0.698199  0.305650  1
  Fe  Fe10  1  0.614846  0.294347  0.372854  1
  Fe  Fe11  1  0.042271  0.015342  0.323268  1
  Fe  Fe12  1  0.011720  0.328764  0.339375  1
  Fe  Fe13  1  0.376371  0.680201  0.322922  1
  Fe  Fe14  1  0.344891  0.995390  0.339894  1
  Fe  Fe15  1  0.314134  0.311954  0.356284  1
  Fe  Fe16  1  0.679476  0.660641  0.339285  1
  Fe  Fe17  1  0.647234  0.978501  0.356485  1
  Fe  Fe18  1  0.980253  0.643558  0.355868  1
  Fe  Fe19  1  0.520465  0.241254  0.422880  1
  Fe  Fe20  1  0.948556  0.961379  0.372972  1
  Fe  Fe21  1  0.916894  0.276072  0.389493  1
  Fe  Fe22  1  0.281346  0.626872  0.372745  1
  Fe  Fe23  1  0.250362  0.942675  0.389497  1
  Fe  Fe24  1  0.218939  0.258889  0.406262  1
  Fe  Fe25  1  0.583928  0.609023  0.389418  1
  Fe  Fe26  1  0.552273  0.925099  0.406144  1
  Fe  Fe27  1  0.885687  0.591760  0.406112  1
  Fe  Fe28  1  0.425956  0.188077  0.472771  1
  Fe  Fe29  1  0.853876  0.907569  0.422742  1
  Fe  Fe30  1  0.822457  0.223438  0.439526  1
  Fe  Fe31  1  0.187078  0.574309  0.422787  1
  Fe  Fe32  1  0.155738  0.889751  0.439396  1
  Fe  Fe33  1  0.124279  0.205796  0.456156  1
  Fe  Fe34  1  0.489163  0.556699  0.439486  1
  Fe  Fe35  1  0.457563  0.872239  0.456085  1
  Fe  Fe36  1  0.790893  0.539086  0.456126  1
  Fe  Fe37  1  0.331386  0.135218  0.522748  1
  Fe  Fe38  1  0.759301  0.854770  0.472757  1
  Fe  Fe39  1  0.727809  0.170403  0.489421  1
  Fe  Fe40  1  0.092569  0.521513  0.472783  1
  Fe  Fe41  1  0.061101  0.837171  0.489432  1
  Fe  Fe42  1  0.029608  0.152775  0.506072  1
  Fe  Fe43  1  0.394443  0.503882  0.489448  1
  Fe  Fe44  1  0.362898  0.819592  0.506101  1
  Fe  Fe45  1  0.696234  0.486178  0.506072  1
  Fe  Fe46  1  0.236753  0.082601  0.572795  1
  Fe  Fe47  1  0.664683  0.802001  0.522764  1
  Fe  Fe48  1  0.633141  0.117738  0.539428  1
  Fe  Fe49  1  -0.001937  0.468544  0.522723  1
  Fe  Fe50  1  0.966415  0.784339  0.539394  1
  Fe  Fe51  1  0.934982  0.100218  0.556125  1
  Fe  Fe52  1  0.299766  0.450821  0.539344  1
  Fe  Fe53  1  0.268317  0.766733  0.556062  1
  Fe  Fe54  1  0.601585  0.433116  0.555972  1
  Fe  Fe55  1  0.142037  0.029399  0.622640  1
  Fe  Fe56  1  0.570099  0.748943  0.572689  1
  Fe  Fe57  1  0.538326  0.065136  0.589435  1
  Fe  Fe58  1  0.903525  0.415506  0.572645  1
  Fe  Fe59  1  0.871760  0.731264  0.589270  1
  Fe  Fe60  1  0.840284  0.047516  0.606095  1
  Fe  Fe61  1  0.205027  0.397962  0.589308  1
  Fe  Fe62  1  0.173924  0.713676  0.605987  1
  Fe  Fe63  1  0.507096  0.380660  0.606068  1
  Fe  Fe64  1  0.046938  0.976358  0.672417  1
  Fe  Fe65  1  0.475336  0.695273  0.622508  1
  Fe  Fe66  1  0.443796  0.012672  0.639361  1
  Fe  Fe67  1  0.809154  0.363019  0.622776  1
  Fe  Fe68  1  0.776679  0.677791  0.638993  1
  Fe  Fe69  1  0.745618  0.995074  0.655879  1
  Fe  Fe70  1  0.110355  0.346259  0.639674  1
  Fe  Fe71  1  0.079737  0.660190  0.655788  1
  Fe  Fe72  1  0.411808  0.328541  0.656351  1
  Fe  Fe73  1  0.951991  0.914232  0.722679  1
  Fe  Fe74  1  0.381241  0.641129  0.672267  1
  Fe  Fe75  1  0.349671  0.960423  0.689769  1
  Fe  Fe76  1  0.713724  0.309369  0.672783  1
  Fe  Fe77  1  0.682252  0.627677  0.689812  1
  Fe  Fe78  1  0.650388  0.935768  0.706467  1
  Fe  Fe79  1  0.016043  0.291263  0.689944  1
  Fe  Fe80  1  0.981634  0.612454  0.707265  1
  Fe  Fe81  1  0.318617  0.270471  0.706714  1
  Ni  Ni82  1  0.893636  0.521084  0.313413  1
  Ni  Ni83  1  0.229174  0.188325  0.314872  1
  Ni  Ni84  1  0.289409  0.559842  0.281328  1
  Ni  Ni85  1  0.558976  0.855512  0.315219  1
  Ni  Ni86  1  0.623018  0.224638  0.282045  1
  Ni  Ni87  1  0.591498  0.540611  0.297005  1
  Ni  Ni88  1  0.959290  0.894966  0.281262  1
  Ni  Ni89  1  0.920241  0.207125  0.297849  1
  Ni  Ni90  1  0.254515  0.875208  0.298073  1
  Ni  Ni91  1  0.798283  0.469046  0.364530  1
  Ni  Ni92  1  0.131330  0.136695  0.364676  1
  Ni  Ni93  1  0.193996  0.503827  0.330906  1
  Ni  Ni94  1  0.464938  0.801934  0.364559  1
  Ni  Ni95  1  0.527699  0.170493  0.331200  1
  Ni  Ni96  1  0.494800  0.487257  0.347717  1
  Ni  Ni97  1  0.861475  0.837888  0.331476  1
  Ni  Ni98  1  0.827613  0.154087  0.347789  1
  Ni  Ni99  1  0.161661  0.820172  0.347795  1
  Ni  Ni100  1  0.703179  0.416408  0.414512  1
  Ni  Ni101  1  0.036583  0.083267  0.414565  1
  Ni  Ni102  1  0.099444  0.451366  0.381112  1
  Ni  Ni103  1  0.369776  0.749453  0.414416  1
  Ni  Ni104  1  0.432807  0.118673  0.381284  1
  Ni  Ni105  1  0.401178  0.434321  0.397884  1
  Ni  Ni106  1  0.766513  0.784475  0.381038  1
  Ni  Ni107  1  0.734371  0.101214  0.397946  1
  Ni  Ni108  1  0.067597  0.767186  0.397672  1
  Ni  Ni109  1  0.608427  0.363631  0.464478  1
  Ni  Ni110  1  0.941822  0.030136  0.464424  1
  Ni  Ni111  1  0.004775  0.398832  0.431145  1
  Ni  Ni112  1  0.275069  0.696894  0.464443  1
  Ni  Ni113  1  0.338206  0.065419  0.431141  1
  Ni  Ni114  1  0.306582  0.381405  0.447847  1
  Ni  Ni115  1  0.671593  0.731998  0.431076  1
  Ni  Ni116  1  0.639940  0.047845  0.447786  1
  Ni  Ni117  1  0.973224  0.714548  0.447764  1
  Ni  Ni118  1  0.513788  0.310626  0.514385  1
  Ni  Ni119  1  0.847130  0.977454  0.514439  1
  Ni  Ni120  1  0.910242  0.345978  0.481117  1
  Ni  Ni121  1  0.180450  0.644111  0.514418  1
  Ni  Ni122  1  0.243575  0.012524  0.481078  1
  Ni  Ni123  1  0.212007  0.328318  0.497754  1
  Ni  Ni124  1  0.576913  0.679345  0.481111  1
  Ni  Ni125  1  0.545339  0.994997  0.497759  1
  Ni  Ni126  1  0.878632  0.661730  0.497758  1
  Ni  Ni127  1  0.419161  0.257941  0.564409  1
  Ni  Ni128  1  0.752429  0.924725  0.564426  1
  Ni  Ni129  1  0.815649  0.293008  0.531038  1
  Ni  Ni130  1  0.085884  0.591147  0.564338  1
  Ni  Ni131  1  0.148907  0.959867  0.531105  1
  Ni  Ni132  1  0.117420  0.275371  0.547704  1
  Ni  Ni133  1  0.482245  0.626436  0.531057  1
  Ni  Ni134  1  0.450711  0.942271  0.547771  1
  Ni  Ni135  1  0.784034  0.608700  0.547675  1
  Ni  Ni136  1  0.324171  0.205714  0.614508  1
  Ni  Ni137  1  0.657663  0.871739  0.614318  1
  Ni  Ni138  1  0.720992  0.240447  0.581088  1
  Ni  Ni139  1  0.991266  0.538122  0.614246  1
  Ni  Ni140  1  0.054218  0.906927  0.581030  1
  Ni  Ni141  1  0.022926  0.222941  0.597840  1
  Ni  Ni142  1  0.387534  0.573283  0.580921  1
  Ni  Ni143  1  0.356311  0.889285  0.597728  1
  Ni  Ni144  1  0.689469  0.555456  0.597532  1
  Ni  Ni145  1  0.229351  0.152302  0.664231  1
  Ni  Ni146  1  0.562317  0.818928  0.663925  1
  Ni  Ni147  1  0.625861  0.188019  0.631041  1
  Ni  Ni148  1  0.896330  0.486359  0.664524  1
  Ni  Ni149  1  0.959580  0.853704  0.630862  1
  Ni  Ni150  1  0.928621  0.170145  0.647803  1
  Ni  Ni151  1  0.292904  0.519974  0.630867  1
  Ni  Ni152  1  0.262271  0.836569  0.647662  1
  Ni  Ni153  1  0.596114  0.502764  0.647763  1
  Ni  Ni154  1  0.132011  0.095121  0.714264  1
  Ni  Ni155  1  0.464183  0.763013  0.713558  1
  Ni  Ni156  1  0.533038  0.134209  0.681387  1
  Ni  Ni157  1  0.801529  0.432370  0.713516  1
  Ni  Ni158  1  0.864259  0.800816  0.680137  1
  Ni  Ni159  1  0.831907  0.115873  0.698282  1
  Ni  Ni160  1  0.196439  0.468809  0.682033  1
  Ni  Ni161  1  0.169770  0.782620  0.697281  1
  Ni  Ni162  1  0.499954  0.450696  0.698174  1
