# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99176337
_cell_length_b   11.23420634
_cell_length_c   48.01510573
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.91062662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe78 Ni78'
_cell_volume   3585.02869121
_cell_formula_units_Z   78
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  0.809562  0.380907  0.297218  1
  Fe  Fe2  1  0.314610  0.370865  0.296739  1
  Fe  Fe3  1  0.883697  0.726742  0.285947  1
  Fe  Fe4  1  0.741295  0.023535  0.309038  1
  Fe  Fe5  1  0.389447  0.726817  0.285951  1
  Fe  Fe6  1  0.458166  0.083459  0.275132  1
  Fe  Fe7  1  0.589077  0.321296  0.332546  1
  Fe  Fe8  1  0.089776  0.321271  0.332545  1
  Fe  Fe9  1  0.664783  0.670538  0.320592  1
  Fe  Fe10  1  0.515139  0.969907  0.344002  1
  Fe  Fe11  1  0.162831  0.674426  0.321393  1
  Fe  Fe12  1  0.235269  0.023530  0.309047  1
  Fe  Fe13  1  0.366409  0.267396  0.367102  1
  Fe  Fe14  1  0.866531  0.267156  0.367097  1
  Fe  Fe15  1  0.440728  0.618254  0.355522  1
  Fe  Fe16  1  0.292499  0.915823  0.378460  1
  Fe  Fe17  1  0.941204  0.618270  0.355527  1
  Fe  Fe18  1  0.015743  0.968676  0.343838  1
  Fe  Fe19  1  0.143406  0.213299  0.401449  1
  Fe  Fe20  1  0.643604  0.213300  0.401449  1
  Fe  Fe21  1  0.217945  0.564397  0.389888  1
  Fe  Fe22  1  0.069028  0.862281  0.413018  1
  Fe  Fe23  1  0.717792  0.564696  0.390010  1
  Fe  Fe24  1  0.791934  0.915816  0.378458  1
  Fe  Fe25  1  0.920451  0.159492  0.435903  1
  Fe  Fe26  1  0.420378  0.159641  0.435941  1
  Fe  Fe27  1  0.994748  0.510932  0.424472  1
  Fe  Fe28  1  0.846014  0.808397  0.447449  1
  Fe  Fe29  1  0.494683  0.510936  0.424473  1
  Fe  Fe30  1  0.569172  0.861994  0.412895  1
  Fe  Fe31  1  0.697277  0.105870  0.470424  1
  Fe  Fe32  1  0.197326  0.105882  0.470428  1
  Fe  Fe33  1  0.771616  0.457212  0.458964  1
  Fe  Fe34  1  0.622918  0.754681  0.481947  1
  Fe  Fe35  1  0.271636  0.457181  0.458968  1
  Fe  Fe36  1  0.346016  0.808387  0.447446  1
  Fe  Fe37  1  0.474207  0.052143  0.504912  1
  Fe  Fe38  1  0.974193  0.052183  0.504928  1
  Fe  Fe39  1  0.548577  0.403412  0.493430  1
  Fe  Fe40  1  0.399799  0.700981  0.516438  1
  Fe  Fe41  1  0.048548  0.403405  0.493425  1
  Fe  Fe42  1  0.122920  0.754655  0.481929  1
  Fe  Fe43  1  0.251129  0.998389  0.539392  1
  Fe  Fe44  1  0.751100  0.998450  0.539411  1
  Fe  Fe45  1  0.325478  0.349675  0.527908  1
  Fe  Fe46  1  0.176750  0.647226  0.550920  1
  Fe  Fe47  1  0.825479  0.349651  0.527902  1
  Fe  Fe48  1  0.899821  0.700959  0.516437  1
  Fe  Fe49  1  0.027963  0.944710  0.573902  1
  Fe  Fe50  1  0.528054  0.944716  0.573905  1
  Fe  Fe51  1  0.102353  0.296004  0.562417  1
  Fe  Fe52  1  0.953678  0.593402  0.585356  1
  Fe  Fe53  1  0.602384  0.295930  0.562394  1
  Fe  Fe54  1  0.676696  0.647231  0.550920  1
  Fe  Fe55  1  0.804886  0.891038  0.608434  1
  Fe  Fe56  1  0.304798  0.891220  0.608437  1
  Fe  Fe57  1  0.879279  0.242264  0.596900  1
  Fe  Fe58  1  0.730528  0.539655  0.619851  1
  Fe  Fe59  1  0.379250  0.242253  0.596896  1
  Fe  Fe60  1  0.453667  0.593431  0.585408  1
  Fe  Fe61  1  0.581683  0.837500  0.642885  1
  Fe  Fe62  1  0.081714  0.837503  0.642882  1
  Fe  Fe63  1  0.656200  0.188481  0.631388  1
  Fe  Fe64  1  0.507350  0.486230  0.654269  1
  Fe  Fe65  1  0.156344  0.188188  0.631227  1
  Fe  Fe66  1  0.230659  0.539662  0.619853  1
  Fe  Fe67  1  0.359281  0.782437  0.677485  1
  Fe  Fe68  1  0.858886  0.783240  0.677046  1
  Fe  Fe69  1  0.433359  0.134342  0.665834  1
  Fe  Fe70  1  0.284618  0.432261  0.689177  1
  Fe  Fe71  1  0.933266  0.134329  0.665828  1
  Fe  Fe72  1  0.007349  0.486219  0.654477  1
  Fe  Fe73  1  0.139703  0.728341  0.712363  1
  Fe  Fe74  1  0.633182  0.728261  0.712357  1
  Fe  Fe75  1  0.209461  0.082146  0.701638  1
  Fe  Fe76  1  0.063199  0.374891  0.723244  1
  Fe  Fe77  1  0.710983  0.079026  0.700764  1
  Fe  Fe78  1  0.784100  0.432295  0.689195  1
  Ni  Ni79  1  0.643389  0.226498  0.286756  1
  Ni  Ni80  1  0.130055  0.226479  0.286753  1
  Ni  Ni81  1  0.485526  0.523559  0.309375  1
  Ni  Ni82  1  0.561551  0.876992  0.297784  1
  Ni  Ni83  1  0.210967  0.577932  0.276168  1
  Ni  Ni84  1  0.062908  0.874182  0.297340  1
  Ni  Ni85  1  0.414102  0.171899  0.321381  1
  Ni  Ni86  1  0.913509  0.173064  0.321104  1
  Ni  Ni87  1  0.265301  0.469564  0.343685  1
  Ni  Ni88  1  0.341130  0.820791  0.332479  1
  Ni  Ni89  1  0.991002  0.523547  0.309389  1
  Ni  Ni90  1  0.838221  0.820787  0.332475  1
  Ni  Ni91  1  0.190736  0.118239  0.355398  1
  Ni  Ni92  1  0.691217  0.118245  0.355395  1
  Ni  Ni93  1  0.042194  0.415928  0.378500  1
  Ni  Ni94  1  0.116424  0.767384  0.367146  1
  Ni  Ni95  1  0.765404  0.469376  0.344099  1
  Ni  Ni96  1  0.616714  0.766788  0.366814  1
  Ni  Ni97  1  0.967957  0.064362  0.389879  1
  Ni  Ni98  1  0.467796  0.064697  0.389951  1
  Ni  Ni99  1  0.819069  0.362196  0.413005  1
  Ni  Ni100  1  0.893531  0.713367  0.401474  1
  Ni  Ni101  1  0.542130  0.415929  0.378502  1
  Ni  Ni102  1  0.393413  0.713362  0.401471  1
  Ni  Ni103  1  0.744638  0.010842  0.424439  1
  Ni  Ni104  1  0.244884  0.010846  0.424441  1
  Ni  Ni105  1  0.596081  0.308373  0.447445  1
  Ni  Ni106  1  0.670361  0.659677  0.435970  1
  Ni  Ni107  1  0.319088  0.362161  0.413015  1
  Ni  Ni108  1  0.170387  0.659614  0.435928  1
  Ni  Ni109  1  0.521672  0.957100  0.458917  1
  Ni  Ni110  1  0.021641  0.957174  0.458959  1
  Ni  Ni111  1  0.372933  0.254645  0.481926  1
  Ni  Ni112  1  0.447255  0.605943  0.470453  1
  Ni  Ni113  1  0.095968  0.308371  0.447444  1
  Ni  Ni114  1  0.947282  0.605938  0.470452  1
  Ni  Ni115  1  0.298557  0.903405  0.493422  1
  Ni  Ni116  1  0.798566  0.903417  0.493430  1
  Ni  Ni117  1  0.149849  0.200922  0.516420  1
  Ni  Ni118  1  0.224190  0.552200  0.504938  1
  Ni  Ni119  1  0.872945  0.254611  0.481911  1
  Ni  Ni120  1  0.724170  0.552204  0.504939  1
  Ni  Ni121  1  0.075444  0.849688  0.527919  1
  Ni  Ni122  1  0.575482  0.849696  0.527925  1
  Ni  Ni123  1  0.926752  0.147206  0.550907  1
  Ni  Ni124  1  0.001101  0.498429  0.539399  1
  Ni  Ni125  1  0.649828  0.200907  0.516410  1
  Ni  Ni126  1  0.501108  0.498447  0.539413  1
  Ni  Ni127  1  0.852360  0.795985  0.562426  1
  Ni  Ni128  1  0.352349  0.796002  0.562434  1
  Ni  Ni129  1  0.703638  0.093490  0.585393  1
  Ni  Ni130  1  0.777998  0.444678  0.573884  1
  Ni  Ni131  1  0.426723  0.147196  0.550901  1
  Ni  Ni132  1  0.278054  0.444683  0.573887  1
  Ni  Ni133  1  0.629190  0.742279  0.596905  1
  Ni  Ni134  1  0.129320  0.742277  0.596904  1
  Ni  Ni135  1  0.480700  0.039737  0.619875  1
  Ni  Ni136  1  0.554973  0.390865  0.608383  1
  Ni  Ni137  1  0.203670  0.093416  0.585336  1
  Ni  Ni138  1  0.054886  0.391049  0.608429  1
  Ni  Ni139  1  0.406105  0.688664  0.631393  1
  Ni  Ni140  1  0.906264  0.688346  0.631279  1
  Ni  Ni141  1  0.257327  0.986285  0.654508  1
  Ni  Ni142  1  0.331506  0.337272  0.642932  1
  Ni  Ni143  1  0.980408  0.039733  0.619872  1
  Ni  Ni144  1  0.832120  0.337281  0.642938  1
  Ni  Ni145  1  0.182833  0.634778  0.665795  1
  Ni  Ni146  1  0.683352  0.634767  0.665794  1
  Ni  Ni147  1  0.036916  0.932020  0.689180  1
  Ni  Ni148  1  0.109055  0.282864  0.677049  1
  Ni  Ni149  1  0.757486  0.985932  0.654486  1
  Ni  Ni150  1  0.608580  0.283865  0.677340  1
  Ni  Ni151  1  0.959712  0.581702  0.700809  1
  Ni  Ni152  1  0.461375  0.578230  0.700608  1
  Ni  Ni153  1  0.812554  0.876134  0.722401  1
  Ni  Ni154  1  0.881821  0.229699  0.711605  1
  Ni  Ni155  1  0.532077  0.932001  0.689190  1
  Ni  Ni156  1  0.389628  0.229737  0.711611  1
