# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90700877
_cell_length_b   11.24552328
_cell_length_c   47.71965896
_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   4635.83166218
_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  0.554541  0.333540  0.284749  1
  Fe  Fe2  1  0.888462  0.997754  0.284700  1
  Fe  Fe3  1  0.803909  0.281905  0.311072  1
  Fe  Fe4  1  0.180209  0.305748  0.297439  1
  Fe  Fe5  1  0.513123  0.974450  0.297469  1
  Fe  Fe6  1  0.843158  0.643362  0.297665  1
  Fe  Fe7  1  0.223156  0.664456  0.284443  1
  Fe  Fe8  1  0.136500  0.948262  0.311090  1
  Fe  Fe9  1  0.471291  0.613751  0.310780  1
  Fe  Fe10  1  0.424378  0.258189  0.324715  1
  Fe  Fe11  1  0.758235  0.924278  0.324612  1
  Fe  Fe12  1  0.671070  0.210508  0.351616  1
  Fe  Fe13  1  0.048283  0.234356  0.338280  1
  Fe  Fe14  1  0.380982  0.901730  0.338450  1
  Fe  Fe15  1  0.714973  0.567905  0.338309  1
  Fe  Fe16  1  0.090763  0.592863  0.325377  1
  Fe  Fe17  1  0.004703  0.876525  0.351487  1
  Fe  Fe18  1  0.337666  0.543804  0.351644  1
  Fe  Fe19  1  0.293327  0.186435  0.364831  1
  Fe  Fe20  1  0.626310  0.853400  0.364974  1
  Fe  Fe21  1  0.539088  0.139159  0.391551  1
  Fe  Fe22  1  0.916078  0.163112  0.378292  1
  Fe  Fe23  1  0.249734  0.829775  0.378275  1
  Fe  Fe24  1  0.582870  0.496406  0.378312  1
  Fe  Fe25  1  0.960011  0.520138  0.365011  1
  Fe  Fe26  1  0.872113  0.805950  0.391638  1
  Fe  Fe27  1  0.205572  0.472492  0.391545  1
  Fe  Fe28  1  0.161396  0.115432  0.404859  1
  Fe  Fe29  1  0.494788  0.782088  0.404857  1
  Fe  Fe30  1  0.406966  0.068083  0.431600  1
  Fe  Fe31  1  0.784294  0.091625  0.418184  1
  Fe  Fe32  1  0.117649  0.758583  0.418322  1
  Fe  Fe33  1  0.450847  0.425015  0.418209  1
  Fe  Fe34  1  0.828258  0.448749  0.404891  1
  Fe  Fe35  1  0.740228  0.734689  0.431600  1
  Fe  Fe36  1  0.073696  0.401268  0.431560  1
  Fe  Fe37  1  0.029655  0.044166  0.444877  1
  Fe  Fe38  1  0.363011  0.710930  0.444918  1
  Fe  Fe39  1  0.275096  0.996768  0.471588  1
  Fe  Fe40  1  0.652357  0.020490  0.458240  1
  Fe  Fe41  1  0.985710  0.687203  0.458271  1
  Fe  Fe42  1  0.319061  0.353753  0.458222  1
  Fe  Fe43  1  0.696312  0.377597  0.444912  1
  Fe  Fe44  1  0.608418  0.663386  0.471586  1
  Fe  Fe45  1  0.941729  0.330079  0.471584  1
  Fe  Fe46  1  0.897776  0.972972  0.484906  1
  Fe  Fe47  1  0.231102  0.639642  0.484903  1
  Fe  Fe48  1  0.143219  0.925492  0.511586  1
  Fe  Fe49  1  0.520472  0.949233  0.498238  1
  Fe  Fe50  1  0.853854  0.615895  0.498252  1
  Fe  Fe51  1  0.187139  0.282573  0.498242  1
  Fe  Fe52  1  0.564481  0.306328  0.484916  1
  Fe  Fe53  1  0.476506  0.592149  0.511577  1
  Fe  Fe54  1  0.809845  0.258817  0.511583  1
  Fe  Fe55  1  0.765881  0.901723  0.524902  1
  Fe  Fe56  1  0.099234  0.568360  0.524903  1
  Fe  Fe57  1  0.011303  0.854270  0.551601  1
  Fe  Fe58  1  0.388613  0.877917  0.538215  1
  Fe  Fe59  1  0.721923  0.544700  0.538265  1
  Fe  Fe60  1  0.055241  0.211334  0.538240  1
  Fe  Fe61  1  0.432577  0.235080  0.524908  1
  Fe  Fe62  1  0.344676  0.520945  0.551609  1
  Fe  Fe63  1  0.677985  0.187504  0.551562  1
  Fe  Fe64  1  0.634096  0.830386  0.564882  1
  Fe  Fe65  1  0.967285  0.497133  0.564918  1
  Fe  Fe66  1  0.879658  0.782995  0.591641  1
  Fe  Fe67  1  0.256583  0.806654  0.578206  1
  Fe  Fe68  1  0.590052  0.473562  0.578326  1
  Fe  Fe69  1  0.923378  0.139931  0.578180  1
  Fe  Fe70  1  0.300681  0.163854  0.564915  1
  Fe  Fe71  1  0.212870  0.449695  0.591617  1
  Fe  Fe72  1  0.546128  0.116342  0.591603  1
  Fe  Fe73  1  0.502027  0.759285  0.604894  1
  Fe  Fe74  1  0.835206  0.426083  0.604997  1
  Fe  Fe75  1  0.747993  0.711780  0.631579  1
  Fe  Fe76  1  0.124671  0.735338  0.618220  1
  Fe  Fe77  1  0.458236  0.402072  0.618194  1
  Fe  Fe78  1  0.791255  0.068753  0.618210  1
  Fe  Fe79  1  0.168856  0.092582  0.604888  1
  Fe  Fe80  1  0.080965  0.378446  0.631584  1
  Fe  Fe81  1  0.414610  0.044766  0.631415  1
  Fe  Fe82  1  0.369535  0.688616  0.645019  1
  Fe  Fe83  1  0.703189  0.354574  0.644849  1
  Fe  Fe84  1  0.616149  0.641019  0.671940  1
  Fe  Fe85  1  0.993185  0.663624  0.658114  1
  Fe  Fe86  1  0.326026  0.330904  0.658237  1
  Fe  Fe87  1  0.659828  0.996905  0.658108  1
  Fe  Fe88  1  0.036286  0.021954  0.645001  1
  Fe  Fe89  1  0.950186  0.305696  0.671150  1
  Fe  Fe90  1  0.283104  0.972656  0.671238  1
  Fe  Fe91  1  0.237367  0.616699  0.685427  1
  Fe  Fe92  1  0.569257  0.284134  0.685691  1
  Fe  Fe93  1  0.486712  0.566142  0.711798  1
  Fe  Fe94  1  0.860219  0.592501  0.699129  1
  Fe  Fe95  1  0.197135  0.258021  0.698627  1
  Fe  Fe96  1  0.530859  0.921615  0.698870  1
  Fe  Fe97  1  0.903522  0.951553  0.685717  1
  Fe  Fe98  1  0.818749  0.232234  0.712001  1
  Fe  Fe99  1  0.151120  0.901257  0.712061  1
  Ni  Ni100  1  0.281023  0.103010  0.317869  1
  Ni  Ni101  1  0.612459  0.770798  0.318080  1
  Ni  Ni102  1  0.656902  0.129099  0.304703  1
  Ni  Ni103  1  0.034861  0.151051  0.291757  1
  Ni  Ni104  1  0.368758  0.818079  0.291927  1
  Ni  Ni105  1  0.705283  0.484357  0.291629  1
  Ni  Ni106  1  0.076289  0.509661  0.279374  1
  Ni  Ni107  1  0.991200  0.794201  0.304551  1
  Ni  Ni108  1  0.322707  0.461897  0.304972  1
  Ni  Ni109  1  0.148233  0.031927  0.358107  1
  Ni  Ni110  1  0.481972  0.698446  0.358030  1
  Ni  Ni111  1  0.526526  0.055703  0.344883  1
  Ni  Ni112  1  0.903319  0.079177  0.331724  1
  Ni  Ni113  1  0.237802  0.745680  0.331633  1
  Ni  Ni114  1  0.570581  0.412586  0.331783  1
  Ni  Ni115  1  0.947712  0.436841  0.318215  1
  Ni  Ni116  1  0.858806  0.722707  0.345049  1
  Ni  Ni117  1  0.192416  0.389240  0.344795  1
  Ni  Ni118  1  0.016875  0.960601  0.398179  1
  Ni  Ni119  1  0.350231  0.627417  0.398263  1
  Ni  Ni120  1  0.394089  0.984693  0.384978  1
  Ni  Ni121  1  0.771679  0.007810  0.371441  1
  Ni  Ni122  1  0.104983  0.675063  0.371768  1
  Ni  Ni123  1  0.438025  0.341309  0.371490  1
  Ni  Ni124  1  0.815428  0.365249  0.358143  1
  Ni  Ni125  1  0.727363  0.651183  0.384959  1
  Ni  Ni126  1  0.060928  0.317768  0.384895  1
  Ni  Ni127  1  0.884936  0.889477  0.438260  1
  Ni  Ni128  1  0.218320  0.556101  0.438234  1
  Ni  Ni129  1  0.262348  0.913270  0.424928  1
  Ni  Ni130  1  0.639509  0.936953  0.411585  1
  Ni  Ni131  1  0.972940  0.603647  0.411631  1
  Ni  Ni132  1  0.306287  0.270143  0.411527  1
  Ni  Ni133  1  0.683490  0.294089  0.398242  1
  Ni  Ni134  1  0.595611  0.579862  0.424938  1
  Ni  Ni135  1  0.928923  0.246528  0.424925  1
  Ni  Ni136  1  0.753068  0.818200  0.478250  1
  Ni  Ni137  1  0.086456  0.484834  0.478234  1
  Ni  Ni138  1  0.130422  0.842000  0.464941  1
  Ni  Ni139  1  0.507655  0.865694  0.451564  1
  Ni  Ni140  1  0.841056  0.532346  0.451577  1
  Ni  Ni141  1  0.174301  0.198997  0.451559  1
  Ni  Ni142  1  0.551730  0.222767  0.438230  1
  Ni  Ni143  1  0.463689  0.508585  0.464902  1
  Ni  Ni144  1  0.797070  0.175247  0.464891  1
  Ni  Ni145  1  0.621239  0.746912  0.518237  1
  Ni  Ni146  1  0.954514  0.413610  0.518253  1
  Ni  Ni147  1  0.998513  0.770709  0.504929  1
  Ni  Ni148  1  0.375806  0.794431  0.491571  1
  Ni  Ni149  1  0.709128  0.461123  0.491588  1
  Ni  Ni150  1  0.042450  0.127765  0.491563  1
  Ni  Ni151  1  0.419771  0.151556  0.478249  1
  Ni  Ni152  1  0.331859  0.437355  0.504914  1
  Ni  Ni153  1  0.665170  0.104015  0.504901  1
  Ni  Ni154  1  0.489304  0.675691  0.558246  1
  Ni  Ni155  1  0.822582  0.342404  0.558277  1
  Ni  Ni156  1  0.866694  0.699450  0.544931  1
  Ni  Ni157  1  0.243872  0.723155  0.531564  1
  Ni  Ni158  1  0.577270  0.389909  0.531607  1
  Ni  Ni159  1  0.910590  0.056483  0.531552  1
  Ni  Ni160  1  0.287881  0.080296  0.518249  1
  Ni  Ni161  1  0.199965  0.366144  0.544924  1
  Ni  Ni162  1  0.533275  0.032765  0.544909  1
  Ni  Ni163  1  0.357461  0.604541  0.598313  1
  Ni  Ni164  1  0.690761  0.271037  0.598219  1
  Ni  Ni165  1  0.734738  0.628268  0.584941  1
  Ni  Ni166  1  0.112015  0.651864  0.571567  1
  Ni  Ni167  1  0.445416  0.318615  0.571562  1
  Ni  Ni168  1  0.778669  0.985207  0.571558  1
  Ni  Ni169  1  0.156041  0.009007  0.558237  1
  Ni  Ni170  1  0.067980  0.294940  0.584910  1
  Ni  Ni171  1  0.401427  0.961434  0.584840  1
  Ni  Ni172  1  0.225961  0.533267  0.638347  1
  Ni  Ni173  1  0.558845  0.199984  0.638398  1
  Ni  Ni174  1  0.602667  0.557402  0.625094  1
  Ni  Ni175  1  0.980188  0.580479  0.611565  1
  Ni  Ni176  1  0.313560  0.247342  0.611576  1
  Ni  Ni177  1  0.647100  0.913776  0.611509  1
  Ni  Ni178  1  0.024029  0.937864  0.598292  1
  Ni  Ni179  1  0.936064  0.223477  0.624751  1
  Ni  Ni180  1  0.269045  0.890285  0.624797  1
  Ni  Ni181  1  0.092980  0.462242  0.678344  1
  Ni  Ni182  1  0.427933  0.127581  0.678136  1
  Ni  Ni183  1  0.470680  0.486081  0.664761  1
  Ni  Ni184  1  0.848061  0.509321  0.651771  1
  Ni  Ni185  1  0.182536  0.175602  0.651556  1
  Ni  Ni186  1  0.515168  0.842531  0.651493  1
  Ni  Ni187  1  0.892707  0.866717  0.638448  1
  Ni  Ni188  1  0.802903  0.152836  0.664838  1
  Ni  Ni189  1  0.136617  0.819534  0.664878  1
  Ni  Ni190  1  0.963660  0.388431  0.717229  1
  Ni  Ni191  1  0.298223  0.055694  0.717244  1
  Ni  Ni192  1  0.336767  0.414685  0.704969  1
  Ni  Ni193  1  0.717774  0.436101  0.691588  1
  Ni  Ni194  1  0.050987  0.104531  0.691766  1
  Ni  Ni195  1  0.382885  0.770602  0.692011  1
  Ni  Ni196  1  0.761763  0.794958  0.678401  1
  Ni  Ni197  1  0.669054  0.080633  0.704821  1
  Ni  Ni198  1  0.005869  0.747282  0.704670  1
