# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22045349
_cell_length_b   10.35931819
_cell_length_c   48.01232238
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.44663215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe81 Ni81'
_cell_volume   4075.74293027
_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  0.917049  0.315979  0.306904  1
  Fe  Fe2  1  0.251762  0.984818  0.306941  1
  Fe  Fe3  1  0.227821  0.297498  0.323344  1
  Fe  Fe4  1  0.588538  0.651501  0.306056  1
  Fe  Fe5  1  0.557705  0.964762  0.323714  1
  Fe  Fe6  1  0.616809  0.336853  0.290998  1
  Fe  Fe7  1  0.981220  0.688874  0.275369  1
  Fe  Fe8  1  0.953088  0.003000  0.290540  1
  Fe  Fe9  1  0.280794  0.672499  0.290488  1
  Fe  Fe10  1  0.826024  0.260764  0.356301  1
  Fe  Fe11  1  0.161469  0.927843  0.356800  1
  Fe  Fe12  1  0.130521  0.241667  0.373300  1
  Fe  Fe13  1  0.493383  0.594063  0.356243  1
  Fe  Fe14  1  0.463748  0.907726  0.373298  1
  Fe  Fe15  1  0.527856  0.279387  0.339811  1
  Fe  Fe16  1  0.893708  0.631256  0.323025  1
  Fe  Fe17  1  0.860034  0.946262  0.340413  1
  Fe  Fe18  1  0.191530  0.612480  0.339233  1
  Fe  Fe19  1  0.733170  0.203587  0.406648  1
  Fe  Fe20  1  0.067006  0.870055  0.406534  1
  Fe  Fe21  1  0.035776  0.184248  0.423422  1
  Fe  Fe22  1  0.400143  0.536568  0.406575  1
  Fe  Fe23  1  0.368854  0.850572  0.423169  1
  Fe  Fe24  1  0.431879  0.222771  0.389881  1
  Fe  Fe25  1  0.797663  0.574489  0.373262  1
  Fe  Fe26  1  0.765079  0.888800  0.389852  1
  Fe  Fe27  1  0.098424  0.555223  0.389754  1
  Fe  Fe28  1  0.639243  0.145984  0.456692  1
  Fe  Fe29  1  0.972671  0.812609  0.456631  1
  Fe  Fe30  1  0.941212  0.126811  0.473368  1
  Fe  Fe31  1  0.305916  0.479390  0.456692  1
  Fe  Fe32  1  0.274482  0.793394  0.473311  1
  Fe  Fe33  1  0.337565  0.165191  0.440029  1
  Fe  Fe34  1  0.702536  0.517403  0.423305  1
  Fe  Fe35  1  0.670656  0.831607  0.439883  1
  Fe  Fe36  1  0.003996  0.498336  0.439929  1
  Fe  Fe37  1  0.544899  0.088577  0.506717  1
  Fe  Fe38  1  0.878330  0.755300  0.506735  1
  Fe  Fe39  1  0.846741  0.069480  0.523398  1
  Fe  Fe40  1  0.211567  0.422084  0.506795  1
  Fe  Fe41  1  0.180129  0.736213  0.523446  1
  Fe  Fe42  1  0.243111  0.107750  0.490035  1
  Fe  Fe43  1  0.607907  0.460294  0.473400  1
  Fe  Fe44  1  0.576343  0.774349  0.490009  1
  Fe  Fe45  1  0.909677  0.441191  0.490089  1
  Fe  Fe46  1  0.450510  0.031228  0.556774  1
  Fe  Fe47  1  0.784100  0.698130  0.556919  1
  Fe  Fe48  1  0.752108  0.012185  0.573380  1
  Fe  Fe49  1  0.117212  0.364631  0.556830  1
  Fe  Fe50  1  0.085694  0.679184  0.573638  1
  Fe  Fe51  1  0.148713  0.050405  0.540083  1
  Fe  Fe52  1  0.513486  0.403042  0.523482  1
  Fe  Fe53  1  0.481960  0.717099  0.540139  1
  Fe  Fe54  1  0.815295  0.383852  0.540141  1
  Fe  Fe55  1  0.356357  0.973847  0.606988  1
  Fe  Fe56  1  0.689802  0.641204  0.607012  1
  Fe  Fe57  1  0.657267  0.954882  0.623534  1
  Fe  Fe58  1  0.023080  0.307004  0.606915  1
  Fe  Fe59  1  0.990566  0.622185  0.623546  1
  Fe  Fe60  1  0.054544  0.993071  0.590126  1
  Fe  Fe61  1  0.419117  0.345687  0.573532  1
  Fe  Fe62  1  0.387409  0.659950  0.590253  1
  Fe  Fe63  1  0.721041  0.326271  0.590192  1
  Fe  Fe64  1  0.262575  0.916849  0.657717  1
  Fe  Fe65  1  0.597086  0.583491  0.657061  1
  Fe  Fe66  1  0.559545  0.898936  0.673721  1
  Fe  Fe67  1  0.927562  0.249844  0.656475  1
  Fe  Fe68  1  0.896341  0.564600  0.673532  1
  Fe  Fe69  1  0.961532  0.935891  0.640631  1
  Fe  Fe70  1  0.324435  0.288444  0.623521  1
  Fe  Fe71  1  0.292730  0.602234  0.640145  1
  Fe  Fe72  1  0.626569  0.268840  0.640067  1
  Fe  Fe73  1  0.173519  0.858776  0.706135  1
  Fe  Fe74  1  0.505921  0.525981  0.706652  1
  Fe  Fe75  1  0.470067  0.841819  0.721631  1
  Fe  Fe76  1  0.835019  0.194262  0.706173  1
  Fe  Fe77  1  0.808333  0.506494  0.721745  1
  Fe  Fe78  1  0.866650  0.880358  0.690517  1
  Fe  Fe79  1  0.229672  0.232124  0.672978  1
  Fe  Fe80  1  0.198048  0.544592  0.690623  1
  Fe  Fe81  1  0.536384  0.213280  0.689689  1
  Ni  Ni82  1  0.800758  0.511485  0.281811  1
  Ni  Ni83  1  0.133633  0.181571  0.282405  1
  Ni  Ni84  1  0.104953  0.488674  0.297608  1
  Ni  Ni85  1  0.465696  0.848969  0.282378  1
  Ni  Ni86  1  0.437606  0.157991  0.297978  1
  Ni  Ni87  1  0.404855  0.475808  0.314350  1
  Ni  Ni88  1  0.767876  0.829607  0.298384  1
  Ni  Ni89  1  0.737833  0.139184  0.314493  1
  Ni  Ni90  1  0.071741  0.810434  0.315487  1
  Ni  Ni91  1  0.707826  0.458087  0.331677  1
  Ni  Ni92  1  0.041094  0.123615  0.331855  1
  Ni  Ni93  1  0.010999  0.435561  0.347926  1
  Ni  Ni94  1  0.374802  0.789767  0.331633  1
  Ni  Ni95  1  0.344455  0.103271  0.348240  1
  Ni  Ni96  1  0.312698  0.418017  0.364698  1
  Ni  Ni97  1  0.677822  0.768772  0.347997  1
  Ni  Ni98  1  0.645549  0.084464  0.365000  1
  Ni  Ni99  1  0.979543  0.750493  0.364876  1
  Ni  Ni100  1  0.613910  0.399229  0.381532  1
  Ni  Ni101  1  0.947287  0.066242  0.381738  1
  Ni  Ni102  1  0.916015  0.378968  0.398178  1
  Ni  Ni103  1  0.280360  0.731350  0.381370  1
  Ni  Ni104  1  0.249801  0.046442  0.398344  1
  Ni  Ni105  1  0.218038  0.360473  0.414968  1
  Ni  Ni106  1  0.582838  0.712175  0.398126  1
  Ni  Ni107  1  0.551248  0.027144  0.414953  1
  Ni  Ni108  1  0.884878  0.693676  0.414916  1
  Ni  Ni109  1  0.519733  0.341493  0.431670  1
  Ni  Ni110  1  0.853050  0.007976  0.431614  1
  Ni  Ni111  1  0.821682  0.322203  0.448368  1
  Ni  Ni112  1  0.186316  0.674500  0.431549  1
  Ni  Ni113  1  0.155190  0.988715  0.448307  1
  Ni  Ni114  1  0.123598  0.303255  0.465072  1
  Ni  Ni115  1  0.488384  0.655427  0.448280  1
  Ni  Ni116  1  0.456878  0.969579  0.464963  1
  Ni  Ni117  1  0.790304  0.636454  0.465004  1
  Ni  Ni118  1  0.425469  0.284123  0.481748  1
  Ni  Ni119  1  0.758740  0.950507  0.481660  1
  Ni  Ni120  1  0.727293  0.264914  0.498414  1
  Ni  Ni121  1  0.092058  0.617287  0.481696  1
  Ni  Ni122  1  0.060709  0.931453  0.498369  1
  Ni  Ni123  1  0.029178  0.245782  0.515092  1
  Ni  Ni124  1  0.393960  0.598245  0.498411  1
  Ni  Ni125  1  0.362518  0.912316  0.515050  1
  Ni  Ni126  1  0.695918  0.579271  0.515138  1
  Ni  Ni127  1  0.331122  0.226688  0.531782  1
  Ni  Ni128  1  0.664363  0.893126  0.531733  1
  Ni  Ni129  1  0.632843  0.207608  0.548441  1
  Ni  Ni130  1  0.997752  0.560137  0.531844  1
  Ni  Ni131  1  0.966317  0.874190  0.548456  1
  Ni  Ni132  1  0.934836  0.188380  0.565131  1
  Ni  Ni133  1  0.299484  0.541031  0.548525  1
  Ni  Ni134  1  0.268231  0.855139  0.565184  1
  Ni  Ni135  1  0.601580  0.521992  0.565244  1
  Ni  Ni136  1  0.236851  0.169171  0.581833  1
  Ni  Ni137  1  0.569887  0.835965  0.581855  1
  Ni  Ni138  1  0.538307  0.150113  0.598466  1
  Ni  Ni139  1  0.903341  0.502611  0.581879  1
  Ni  Ni140  1  0.871981  0.817713  0.598680  1
  Ni  Ni141  1  0.840506  0.130174  0.615098  1
  Ni  Ni142  1  0.204840  0.483625  0.598529  1
  Ni  Ni143  1  0.174091  0.798393  0.615471  1
  Ni  Ni144  1  0.507384  0.464775  0.615265  1
  Ni  Ni145  1  0.142651  0.111159  0.631927  1
  Ni  Ni146  1  0.475218  0.778553  0.632067  1
  Ni  Ni147  1  0.443719  0.093335  0.648634  1
  Ni  Ni148  1  0.809079  0.445480  0.631789  1
  Ni  Ni149  1  0.777078  0.761176  0.648904  1
  Ni  Ni150  1  0.746398  0.072682  0.665045  1
  Ni  Ni151  1  0.110143  0.427060  0.648625  1
  Ni  Ni152  1  0.079275  0.739568  0.665289  1
  Ni  Ni153  1  0.412919  0.407869  0.665159  1
  Ni  Ni154  1  0.049470  0.056193  0.682482  1
  Ni  Ni155  1  0.382042  0.717871  0.681621  1
  Ni  Ni156  1  0.348956  0.041861  0.699200  1
  Ni  Ni157  1  0.715964  0.387499  0.681391  1
  Ni  Ni158  1  0.685904  0.704179  0.698621  1
  Ni  Ni159  1  0.652786  0.017986  0.714946  1
  Ni  Ni160  1  0.020331  0.366587  0.698425  1
  Ni  Ni161  1  0.987501  0.684641  0.715029  1
  Ni  Ni162  1  0.322249  0.347963  0.714365  1
