# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46836006
_cell_length_b   10.02398500
_cell_length_c   47.67749485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.54392634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe90 Ni90'
_cell_volume   4263.77288304
_cell_formula_units_Z   90
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  0.323048  0.644306  0.321856  1
  Fe  Fe2  1  0.989715  0.644306  0.321856  1
  Fe  Fe3  1  0.938614  0.208707  0.306977  1
  Fe  Fe4  1  0.656382  0.644306  0.321856  1
  Fe  Fe5  1  0.605281  0.208707  0.306977  1
  Fe  Fe6  1  0.552653  0.770307  0.292419  1
  Fe  Fe7  1  0.271948  0.208707  0.306977  1
  Fe  Fe8  1  0.219320  0.770307  0.292419  1
  Fe  Fe9  1  0.885986  0.770307  0.292419  1
  Fe  Fe10  1  0.478657  0.955361  0.365567  1
  Fe  Fe11  1  0.145324  0.955361  0.365567  1
  Fe  Fe12  1  0.093342  0.518101  0.351028  1
  Fe  Fe13  1  0.811990  0.955361  0.365567  1
  Fe  Fe14  1  0.760008  0.518101  0.351028  1
  Fe  Fe15  1  0.708312  0.081426  0.336769  1
  Fe  Fe16  1  0.426675  0.518101  0.351028  1
  Fe  Fe17  1  0.374978  0.081426  0.336769  1
  Fe  Fe18  1  0.041645  0.081426  0.336769  1
  Fe  Fe19  1  0.634683  0.267263  0.408920  1
  Fe  Fe20  1  0.301350  0.267263  0.408920  1
  Fe  Fe21  1  0.249294  0.829868  0.394424  1
  Fe  Fe22  1  0.968017  0.267263  0.408920  1
  Fe  Fe23  1  0.915961  0.829868  0.394424  1
  Fe  Fe24  1  0.863945  0.392541  0.379882  1
  Fe  Fe25  1  0.582627  0.829868  0.394424  1
  Fe  Fe26  1  0.530612  0.392541  0.379882  1
  Fe  Fe27  1  0.197278  0.392541  0.379882  1
  Fe  Fe28  1  0.790652  0.579063  0.452372  1
  Fe  Fe29  1  0.457319  0.579063  0.452372  1
  Fe  Fe30  1  0.405350  0.141842  0.437977  1
  Fe  Fe31  1  0.123985  0.579063  0.452372  1
  Fe  Fe32  1  0.072016  0.141842  0.437977  1
  Fe  Fe33  1  0.019995  0.704509  0.423384  1
  Fe  Fe34  1  0.738683  0.141842  0.437977  1
  Fe  Fe35  1  0.686662  0.704509  0.423384  1
  Fe  Fe36  1  0.353329  0.704509  0.423384  1
  Fe  Fe37  1  0.946668  0.890961  0.495914  1
  Fe  Fe38  1  0.613335  0.890961  0.495914  1
  Fe  Fe39  1  0.561309  0.453618  0.481344  1
  Fe  Fe40  1  0.280002  0.890961  0.495914  1
  Fe  Fe41  1  0.227976  0.453618  0.481344  1
  Fe  Fe42  1  0.176003  0.016391  0.466956  1
  Fe  Fe43  1  0.894642  0.453618  0.481344  1
  Fe  Fe44  1  0.842670  0.016391  0.466956  1
  Fe  Fe45  1  0.509337  0.016391  0.466956  1
  Fe  Fe46  1  0.102650  0.202787  0.539371  1
  Fe  Fe47  1  0.769316  0.202787  0.539371  1
  Fe  Fe48  1  0.717330  0.765524  0.524856  1
  Fe  Fe49  1  0.435983  0.202787  0.539371  1
  Fe  Fe50  1  0.383997  0.765524  0.524856  1
  Fe  Fe51  1  0.331981  0.328206  0.510342  1
  Fe  Fe52  1  0.050663  0.765524  0.524856  1
  Fe  Fe53  1  0.998648  0.328206  0.510342  1
  Fe  Fe54  1  0.665315  0.328206  0.510342  1
  Fe  Fe55  1  0.258615  0.514574  0.582740  1
  Fe  Fe56  1  0.925282  0.514574  0.582740  1
  Fe  Fe57  1  0.873339  0.077410  0.568431  1
  Fe  Fe58  1  0.591948  0.514574  0.582740  1
  Fe  Fe59  1  0.540006  0.077410  0.568431  1
  Fe  Fe60  1  0.487973  0.640049  0.553780  1
  Fe  Fe61  1  0.206672  0.077410  0.568431  1
  Fe  Fe62  1  0.154640  0.640049  0.553780  1
  Fe  Fe63  1  0.821307  0.640049  0.553780  1
  Fe  Fe64  1  0.414688  0.826580  0.626322  1
  Fe  Fe65  1  0.081355  0.826580  0.626322  1
  Fe  Fe66  1  0.029312  0.389211  0.611701  1
  Fe  Fe67  1  0.748021  0.826580  0.626322  1
  Fe  Fe68  1  0.695978  0.389211  0.611701  1
  Fe  Fe69  1  0.644045  0.952062  0.597434  1
  Fe  Fe70  1  0.362645  0.389211  0.611701  1
  Fe  Fe71  1  0.310712  0.952062  0.597434  1
  Fe  Fe72  1  0.977378  0.952062  0.597434  1
  Fe  Fe73  1  0.570386  0.137869  0.670086  1
  Fe  Fe74  1  0.237053  0.137869  0.670086  1
  Fe  Fe75  1  0.185240  0.700903  0.655042  1
  Fe  Fe76  1  0.903720  0.137869  0.670086  1
  Fe  Fe77  1  0.851906  0.700903  0.655042  1
  Fe  Fe78  1  0.800027  0.263895  0.640733  1
  Fe  Fe79  1  0.518573  0.700903  0.655042  1
  Fe  Fe80  1  0.466694  0.263895  0.640733  1
  Fe  Fe81  1  0.133360  0.263895  0.640733  1
  Fe  Fe82  1  0.725252  0.447418  0.713371  1
  Fe  Fe83  1  0.391919  0.447418  0.713371  1
  Fe  Fe84  1  0.340438  0.011126  0.699589  1
  Fe  Fe85  1  0.058585  0.447418  0.713371  1
  Fe  Fe86  1  0.007105  0.011126  0.699589  1
  Fe  Fe87  1  0.955351  0.574369  0.684119  1
  Fe  Fe88  1  0.673772  0.011126  0.699589  1
  Fe  Fe89  1  0.622018  0.574369  0.684119  1
  Fe  Fe90  1  0.288684  0.574369  0.684119  1
  Ni  Ni91  1  0.463678  0.925587  0.314830  1
  Ni  Ni92  1  0.130345  0.925587  0.314830  1
  Ni  Ni93  1  0.078486  0.488614  0.300287  1
  Ni  Ni94  1  0.797011  0.925587  0.314830  1
  Ni  Ni95  1  0.745153  0.488614  0.300287  1
  Ni  Ni96  1  0.693003  0.050968  0.286586  1
  Ni  Ni97  1  0.411820  0.488614  0.300287  1
  Ni  Ni98  1  0.359670  0.050968  0.286586  1
  Ni  Ni99  1  0.026337  0.050968  0.286586  1
  Ni  Ni100  1  0.619373  0.236796  0.358179  1
  Ni  Ni101  1  0.286040  0.236796  0.358179  1
  Ni  Ni102  1  0.234092  0.799640  0.343655  1
  Ni  Ni103  1  0.952707  0.236796  0.358179  1
  Ni  Ni104  1  0.900759  0.799640  0.343655  1
  Ni  Ni105  1  0.848804  0.362403  0.329063  1
  Ni  Ni106  1  0.567425  0.799640  0.343655  1
  Ni  Ni107  1  0.515471  0.362403  0.329063  1
  Ni  Ni108  1  0.182137  0.362403  0.329063  1
  Ni  Ni109  1  0.775310  0.548539  0.401670  1
  Ni  Ni110  1  0.441976  0.548539  0.401670  1
  Ni  Ni111  1  0.390014  0.111330  0.387316  1
  Ni  Ni112  1  0.108643  0.548539  0.401670  1
  Ni  Ni113  1  0.056680  0.111330  0.387316  1
  Ni  Ni114  1  0.004675  0.674031  0.372622  1
  Ni  Ni115  1  0.723347  0.111330  0.387316  1
  Ni  Ni116  1  0.671342  0.674031  0.372622  1
  Ni  Ni117  1  0.338008  0.674031  0.372622  1
  Ni  Ni118  1  0.931325  0.860436  0.445173  1
  Ni  Ni119  1  0.597992  0.860436  0.445173  1
  Ni  Ni120  1  0.545989  0.423138  0.430629  1
  Ni  Ni121  1  0.264659  0.860436  0.445173  1
  Ni  Ni122  1  0.212655  0.423138  0.430629  1
  Ni  Ni123  1  0.160658  0.985863  0.416246  1
  Ni  Ni124  1  0.879322  0.423138  0.430629  1
  Ni  Ni125  1  0.827325  0.985863  0.416246  1
  Ni  Ni126  1  0.493992  0.985863  0.416246  1
  Ni  Ni127  1  0.087325  0.172297  0.488666  1
  Ni  Ni128  1  0.753991  0.172297  0.488666  1
  Ni  Ni129  1  0.701996  0.735017  0.474126  1
  Ni  Ni130  1  0.420658  0.172297  0.488666  1
  Ni  Ni131  1  0.368663  0.735017  0.474126  1
  Ni  Ni132  1  0.316667  0.297738  0.459640  1
  Ni  Ni133  1  0.035330  0.735017  0.474126  1
  Ni  Ni134  1  0.983334  0.297738  0.459640  1
  Ni  Ni135  1  0.650000  0.297738  0.459640  1
  Ni  Ni136  1  0.243305  0.484116  0.532049  1
  Ni  Ni137  1  0.909972  0.484116  0.532049  1
  Ni  Ni138  1  0.857993  0.046876  0.517678  1
  Ni  Ni139  1  0.576638  0.484116  0.532049  1
  Ni  Ni140  1  0.524660  0.046876  0.517678  1
  Ni  Ni141  1  0.472654  0.609572  0.503083  1
  Ni  Ni142  1  0.191326  0.046876  0.517678  1
  Ni  Ni143  1  0.139320  0.609572  0.503083  1
  Ni  Ni144  1  0.805987  0.609572  0.503083  1
  Ni  Ni145  1  0.399352  0.796073  0.575585  1
  Ni  Ni146  1  0.066019  0.796073  0.575585  1
  Ni  Ni147  1  0.013966  0.358681  0.561035  1
  Ni  Ni148  1  0.732686  0.796073  0.575585  1
  Ni  Ni149  1  0.680633  0.358681  0.561035  1
  Ni  Ni150  1  0.628677  0.921485  0.546660  1
  Ni  Ni151  1  0.347299  0.358681  0.561035  1
  Ni  Ni152  1  0.295344  0.921485  0.546660  1
  Ni  Ni153  1  0.962011  0.921485  0.546660  1
  Ni  Ni154  1  0.555326  0.107893  0.619220  1
  Ni  Ni155  1  0.221993  0.107893  0.619220  1
  Ni  Ni156  1  0.169997  0.670599  0.604453  1
  Ni  Ni157  1  0.888659  0.107893  0.619220  1
  Ni  Ni158  1  0.836663  0.670599  0.604453  1
  Ni  Ni159  1  0.784626  0.233247  0.590074  1
  Ni  Ni160  1  0.503330  0.670599  0.604453  1
  Ni  Ni161  1  0.451293  0.233247  0.590074  1
  Ni  Ni162  1  0.117960  0.233247  0.590074  1
  Ni  Ni163  1  0.711200  0.419503  0.662346  1
  Ni  Ni164  1  0.377867  0.419503  0.662346  1
  Ni  Ni165  1  0.326039  0.982557  0.648220  1
  Ni  Ni166  1  0.044534  0.419503  0.662346  1
  Ni  Ni167  1  0.992706  0.982557  0.648220  1
  Ni  Ni168  1  0.940593  0.545032  0.633441  1
  Ni  Ni169  1  0.659373  0.982557  0.648220  1
  Ni  Ni170  1  0.607260  0.545032  0.633441  1
  Ni  Ni171  1  0.273927  0.545032  0.633441  1
  Ni  Ni172  1  0.866214  0.729308  0.705727  1
  Ni  Ni173  1  0.532881  0.729308  0.705727  1
  Ni  Ni174  1  0.481079  0.292548  0.691657  1
  Ni  Ni175  1  0.199548  0.729308  0.705727  1
  Ni  Ni176  1  0.147745  0.292548  0.691657  1
  Ni  Ni177  1  0.096294  0.856258  0.677124  1
  Ni  Ni178  1  0.814412  0.292548  0.691657  1
  Ni  Ni179  1  0.762961  0.856258  0.677124  1
  Ni  Ni180  1  0.429628  0.856258  0.677124  1
