# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.40682573
_cell_length_b   10.28765363
_cell_length_c   48.34760769
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.14743464
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe162 Ni162'
_cell_volume   8143.32641634
_cell_formula_units_Z   162
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  0.616481  0.095339  0.316793  1
  Fe  Fe2  1  0.283148  0.095339  0.316793  1
  Fe  Fe3  1  0.480519  0.764491  0.284271  1
  Fe  Fe4  1  0.633310  0.680661  0.300034  1
  Fe  Fe5  1  0.949815  0.095339  0.316793  1
  Fe  Fe6  1  0.147185  0.764491  0.284271  1
  Fe  Fe7  1  0.299976  0.680661  0.300034  1
  Fe  Fe8  1  0.449815  0.595339  0.316793  1
  Fe  Fe9  1  0.647185  0.264491  0.284271  1
  Fe  Fe10  1  0.813852  0.764491  0.284271  1
  Fe  Fe11  1  0.966643  0.680661  0.300034  1
  Fe  Fe12  1  0.116481  0.595339  0.316793  1
  Fe  Fe13  1  0.313852  0.264491  0.284271  1
  Fe  Fe14  1  0.466643  0.180661  0.300034  1
  Fe  Fe15  1  0.783148  0.595339  0.316793  1
  Fe  Fe16  1  0.980519  0.264491  0.284271  1
  Fe  Fe17  1  0.133310  0.180661  0.300034  1
  Fe  Fe18  1  0.799976  0.180661  0.300034  1
  Fe  Fe19  1  0.568171  0.336352  0.366524  1
  Fe  Fe20  1  0.234838  0.336352  0.366524  1
  Fe  Fe21  1  0.433869  0.009758  0.332828  1
  Fe  Fe22  1  0.583825  0.923890  0.349585  1
  Fe  Fe23  1  0.901504  0.336352  0.366524  1
  Fe  Fe24  1  0.100536  0.009758  0.332828  1
  Fe  Fe25  1  0.250491  0.923890  0.349585  1
  Fe  Fe26  1  0.401504  0.836352  0.366524  1
  Fe  Fe27  1  0.600536  0.509758  0.332828  1
  Fe  Fe28  1  0.767202  0.009758  0.332828  1
  Fe  Fe29  1  0.917158  0.923890  0.349585  1
  Fe  Fe30  1  0.068171  0.836352  0.366524  1
  Fe  Fe31  1  0.267202  0.509758  0.332828  1
  Fe  Fe32  1  0.417158  0.423890  0.349585  1
  Fe  Fe33  1  0.734838  0.836352  0.366524  1
  Fe  Fe34  1  0.933869  0.509758  0.332828  1
  Fe  Fe35  1  0.083825  0.423890  0.349585  1
  Fe  Fe36  1  0.750491  0.423890  0.349585  1
  Fe  Fe37  1  0.520212  0.576128  0.416603  1
  Fe  Fe38  1  0.186878  0.576128  0.416603  1
  Fe  Fe39  1  0.385573  0.249387  0.383372  1
  Fe  Fe40  1  0.536303  0.162643  0.399967  1
  Fe  Fe41  1  0.853545  0.576128  0.416603  1
  Fe  Fe42  1  0.052240  0.249387  0.383372  1
  Fe  Fe43  1  0.202969  0.162643  0.399967  1
  Fe  Fe44  1  0.353545  0.076128  0.416603  1
  Fe  Fe45  1  0.552240  0.749387  0.383372  1
  Fe  Fe46  1  0.718907  0.249387  0.383372  1
  Fe  Fe47  1  0.869636  0.162643  0.399967  1
  Fe  Fe48  1  0.020212  0.076128  0.416603  1
  Fe  Fe49  1  0.218907  0.749387  0.383372  1
  Fe  Fe50  1  0.369636  0.662643  0.399967  1
  Fe  Fe51  1  0.686878  0.076128  0.416603  1
  Fe  Fe52  1  0.885573  0.749387  0.383372  1
  Fe  Fe53  1  0.036303  0.662643  0.399967  1
  Fe  Fe54  1  0.702969  0.662643  0.399967  1
  Fe  Fe55  1  0.472057  0.816230  0.466668  1
  Fe  Fe56  1  0.138724  0.816230  0.466668  1
  Fe  Fe57  1  0.337442  0.489639  0.433232  1
  Fe  Fe58  1  0.488047  0.402993  0.449940  1
  Fe  Fe59  1  0.805391  0.816230  0.466668  1
  Fe  Fe60  1  0.004109  0.489639  0.433232  1
  Fe  Fe61  1  0.154714  0.402993  0.449940  1
  Fe  Fe62  1  0.305391  0.316230  0.466668  1
  Fe  Fe63  1  0.504109  0.989639  0.433232  1
  Fe  Fe64  1  0.670775  0.489639  0.433232  1
  Fe  Fe65  1  0.821380  0.402993  0.449940  1
  Fe  Fe66  1  0.972057  0.316230  0.466668  1
  Fe  Fe67  1  0.170775  0.989639  0.433232  1
  Fe  Fe68  1  0.321380  0.902993  0.449940  1
  Fe  Fe69  1  0.638724  0.316230  0.466668  1
  Fe  Fe70  1  0.837442  0.989639  0.433232  1
  Fe  Fe71  1  0.988047  0.902993  0.449940  1
  Fe  Fe72  1  0.654714  0.902993  0.449940  1
  Fe  Fe73  1  0.423973  0.056230  0.516704  1
  Fe  Fe74  1  0.090640  0.056230  0.516704  1
  Fe  Fe75  1  0.289380  0.729525  0.483366  1
  Fe  Fe76  1  0.440010  0.642878  0.500035  1
  Fe  Fe77  1  0.757307  0.056230  0.516704  1
  Fe  Fe78  1  0.956047  0.729525  0.483366  1
  Fe  Fe79  1  0.106677  0.642878  0.500035  1
  Fe  Fe80  1  0.257307  0.556230  0.516704  1
  Fe  Fe81  1  0.456047  0.229525  0.483366  1
  Fe  Fe82  1  0.622714  0.729525  0.483366  1
  Fe  Fe83  1  0.773344  0.642878  0.500035  1
  Fe  Fe84  1  0.923973  0.556230  0.516704  1
  Fe  Fe85  1  0.122714  0.229525  0.483366  1
  Fe  Fe86  1  0.273344  0.142878  0.500035  1
  Fe  Fe87  1  0.590640  0.556230  0.516704  1
  Fe  Fe88  1  0.789380  0.229525  0.483366  1
  Fe  Fe89  1  0.940010  0.142878  0.500035  1
  Fe  Fe90  1  0.606677  0.142878  0.500035  1
  Fe  Fe91  1  0.375912  0.296116  0.566838  1
  Fe  Fe92  1  0.042579  0.296116  0.566838  1
  Fe  Fe93  1  0.241297  0.969526  0.533402  1
  Fe  Fe94  1  0.391973  0.882763  0.550129  1
  Fe  Fe95  1  0.709245  0.296116  0.566838  1
  Fe  Fe96  1  0.907963  0.969526  0.533402  1
  Fe  Fe97  1  0.058640  0.882763  0.550129  1
  Fe  Fe98  1  0.209245  0.796116  0.566838  1
  Fe  Fe99  1  0.407963  0.469526  0.533402  1
  Fe  Fe100  1  0.574630  0.969526  0.533402  1
  Fe  Fe101  1  0.725307  0.882763  0.550129  1
  Fe  Fe102  1  0.875912  0.796116  0.566838  1
  Fe  Fe103  1  0.074630  0.469526  0.533402  1
  Fe  Fe104  1  0.225307  0.382763  0.550129  1
  Fe  Fe105  1  0.542579  0.796116  0.566838  1
  Fe  Fe106  1  0.741297  0.469526  0.533402  1
  Fe  Fe107  1  0.891973  0.382763  0.550129  1
  Fe  Fe108  1  0.558640  0.382763  0.550129  1
  Fe  Fe109  1  0.327781  0.536369  0.616697  1
  Fe  Fe110  1  0.994447  0.536369  0.616697  1
  Fe  Fe111  1  0.193142  0.209627  0.583467  1
  Fe  Fe112  1  0.343718  0.123113  0.600103  1
  Fe  Fe113  1  0.661114  0.536369  0.616697  1
  Fe  Fe114  1  0.859809  0.209627  0.583467  1
  Fe  Fe115  1  0.010385  0.123113  0.600103  1
  Fe  Fe116  1  0.161114  0.036369  0.616697  1
  Fe  Fe117  1  0.359809  0.709627  0.583467  1
  Fe  Fe118  1  0.526476  0.209627  0.583467  1
  Fe  Fe119  1  0.677051  0.123113  0.600103  1
  Fe  Fe120  1  0.827781  0.036369  0.616697  1
  Fe  Fe121  1  0.026476  0.709627  0.583467  1
  Fe  Fe122  1  0.177051  0.623113  0.600103  1
  Fe  Fe123  1  0.494447  0.036369  0.616697  1
  Fe  Fe124  1  0.693142  0.709627  0.583467  1
  Fe  Fe125  1  0.843718  0.623113  0.600103  1
  Fe  Fe126  1  0.510385  0.623113  0.600103  1
  Fe  Fe127  1  0.279485  0.775998  0.667242  1
  Fe  Fe128  1  0.946152  0.775998  0.667242  1
  Fe  Fe129  1  0.145183  0.449403  0.633546  1
  Fe  Fe130  1  0.296196  0.361865  0.650485  1
  Fe  Fe131  1  0.612818  0.775998  0.667242  1
  Fe  Fe132  1  0.811850  0.449403  0.633546  1
  Fe  Fe133  1  0.962863  0.361865  0.650485  1
  Fe  Fe134  1  0.112818  0.275998  0.667242  1
  Fe  Fe135  1  0.311850  0.949403  0.633546  1
  Fe  Fe136  1  0.478516  0.449403  0.633546  1
  Fe  Fe137  1  0.629529  0.361865  0.650485  1
  Fe  Fe138  1  0.779485  0.275998  0.667242  1
  Fe  Fe139  1  0.978516  0.949403  0.633546  1
  Fe  Fe140  1  0.129529  0.861865  0.650485  1
  Fe  Fe141  1  0.446152  0.275998  0.667242  1
  Fe  Fe142  1  0.645183  0.949403  0.633546  1
  Fe  Fe143  1  0.796196  0.861865  0.650485  1
  Fe  Fe144  1  0.462863  0.861865  0.650485  1
  Fe  Fe145  1  0.232835  0.021265  0.715799  1
  Fe  Fe146  1  0.899502  0.021265  0.715799  1
  Fe  Fe147  1  0.096872  0.690417  0.683277  1
  Fe  Fe148  1  0.246711  0.605094  0.700036  1
  Fe  Fe149  1  0.566168  0.021265  0.715799  1
  Fe  Fe150  1  0.763539  0.690417  0.683277  1
  Fe  Fe151  1  0.913378  0.605094  0.700036  1
  Fe  Fe152  1  0.066168  0.521265  0.715799  1
  Fe  Fe153  1  0.263539  0.190417  0.683277  1
  Fe  Fe154  1  0.430206  0.690417  0.683277  1
  Fe  Fe155  1  0.580044  0.605094  0.700036  1
  Fe  Fe156  1  0.732835  0.521265  0.715799  1
  Fe  Fe157  1  0.930206  0.190417  0.683277  1
  Fe  Fe158  1  0.080044  0.105094  0.700036  1
  Fe  Fe159  1  0.399502  0.521265  0.715799  1
  Fe  Fe160  1  0.596872  0.190417  0.683277  1
  Fe  Fe161  1  0.746711  0.105094  0.700036  1
  Fe  Fe162  1  0.413378  0.105094  0.700036  1
  Ni  Ni163  1  0.532391  0.346248  0.316645  1
  Ni  Ni164  1  0.199058  0.346248  0.316645  1
  Ni  Ni165  1  0.398415  0.017763  0.283436  1
  Ni  Ni166  1  0.549377  0.931328  0.299358  1
  Ni  Ni167  1  0.865724  0.346248  0.316645  1
  Ni  Ni168  1  0.065082  0.017763  0.283436  1
  Ni  Ni169  1  0.216044  0.931328  0.299358  1
  Ni  Ni170  1  0.365724  0.846248  0.316645  1
  Ni  Ni171  1  0.565082  0.517763  0.283436  1
  Ni  Ni172  1  0.731749  0.017763  0.283436  1
  Ni  Ni173  1  0.882711  0.931328  0.299358  1
  Ni  Ni174  1  0.032391  0.846248  0.316645  1
  Ni  Ni175  1  0.231749  0.517763  0.283436  1
  Ni  Ni176  1  0.382711  0.431328  0.299358  1
  Ni  Ni177  1  0.699058  0.846248  0.316645  1
  Ni  Ni178  1  0.898415  0.517763  0.283436  1
  Ni  Ni179  1  0.049377  0.431328  0.299358  1
  Ni  Ni180  1  0.716044  0.431328  0.299358  1
  Ni  Ni181  1  0.485135  0.586130  0.366554  1
  Ni  Ni182  1  0.151801  0.586130  0.366554  1
  Ni  Ni183  1  0.350633  0.259694  0.333498  1
  Ni  Ni184  1  0.500575  0.173558  0.350034  1
  Ni  Ni185  1  0.818468  0.586130  0.366554  1
  Ni  Ni186  1  0.017299  0.259694  0.333498  1
  Ni  Ni187  1  0.167242  0.173558  0.350034  1
  Ni  Ni188  1  0.318468  0.086130  0.366554  1
  Ni  Ni189  1  0.517299  0.759694  0.333498  1
  Ni  Ni190  1  0.683966  0.259694  0.333498  1
  Ni  Ni191  1  0.833908  0.173558  0.350034  1
  Ni  Ni192  1  0.985135  0.086130  0.366554  1
  Ni  Ni193  1  0.183966  0.759694  0.333498  1
  Ni  Ni194  1  0.333908  0.673558  0.350034  1
  Ni  Ni195  1  0.651801  0.086130  0.366554  1
  Ni  Ni196  1  0.850633  0.759694  0.333498  1
  Ni  Ni197  1  1.000575  0.673558  0.350034  1
  Ni  Ni198  1  0.667242  0.673558  0.350034  1
  Ni  Ni199  1  0.436777  0.826213  0.416606  1
  Ni  Ni200  1  0.103444  0.826213  0.416606  1
  Ni  Ni201  1  0.302218  0.499466  0.383094  1
  Ni  Ni202  1  0.452834  0.412808  0.399807  1
  Ni  Ni203  1  0.770110  0.826213  0.416606  1
  Ni  Ni204  1  0.968884  0.499466  0.383094  1
  Ni  Ni205  1  0.119501  0.412808  0.399807  1
  Ni  Ni206  1  0.270110  0.326213  0.416606  1
  Ni  Ni207  1  0.468884  0.999466  0.383094  1
  Ni  Ni208  1  0.635551  0.499466  0.383094  1
  Ni  Ni209  1  0.786167  0.412808  0.399807  1
  Ni  Ni210  1  0.936777  0.326213  0.416606  1
  Ni  Ni211  1  0.135551  0.999466  0.383094  1
  Ni  Ni212  1  0.286167  0.912808  0.399807  1
  Ni  Ni213  1  0.603444  0.326213  0.416606  1
  Ni  Ni214  1  0.802218  0.999466  0.383094  1
  Ni  Ni215  1  0.952834  0.912808  0.399807  1
  Ni  Ni216  1  0.619501  0.912808  0.399807  1
  Ni  Ni217  1  0.388750  0.066208  0.466653  1
  Ni  Ni218  1  0.055416  0.066208  0.466653  1
  Ni  Ni219  1  0.254140  0.739598  0.433333  1
  Ni  Ni220  1  0.404760  0.652939  0.449991  1
  Ni  Ni221  1  0.722083  0.066208  0.466653  1
  Ni  Ni222  1  0.920807  0.739598  0.433333  1
  Ni  Ni223  1  0.071427  0.652939  0.449991  1
  Ni  Ni224  1  0.222083  0.566208  0.466653  1
  Ni  Ni225  1  0.420807  0.239598  0.433333  1
  Ni  Ni226  1  0.587473  0.739598  0.433333  1
  Ni  Ni227  1  0.738093  0.652939  0.449991  1
  Ni  Ni228  1  0.888750  0.566208  0.466653  1
  Ni  Ni229  1  0.087473  0.239598  0.433333  1
  Ni  Ni230  1  0.238093  0.152939  0.449991  1
  Ni  Ni231  1  0.555416  0.566208  0.466653  1
  Ni  Ni232  1  0.754140  0.239598  0.433333  1
  Ni  Ni233  1  0.904760  0.152939  0.449991  1
  Ni  Ni234  1  0.571427  0.152939  0.449991  1
  Ni  Ni235  1  0.340644  0.306223  0.516742  1
  Ni  Ni236  1  0.007311  0.306223  0.516742  1
  Ni  Ni237  1  0.206043  0.979532  0.483327  1
  Ni  Ni238  1  0.356677  0.892878  0.500035  1
  Ni  Ni239  1  0.673977  0.306223  0.516742  1
  Ni  Ni240  1  0.872710  0.979532  0.483327  1
  Ni  Ni241  1  0.023344  0.892878  0.500035  1
  Ni  Ni242  1  0.173977  0.806223  0.516742  1
  Ni  Ni243  1  0.372710  0.479532  0.483327  1
  Ni  Ni244  1  0.539377  0.979532  0.483327  1
  Ni  Ni245  1  0.690010  0.892878  0.500035  1
  Ni  Ni246  1  0.840644  0.806223  0.516742  1
  Ni  Ni247  1  0.039377  0.479532  0.483327  1
  Ni  Ni248  1  0.190010  0.392878  0.500035  1
  Ni  Ni249  1  0.507311  0.806223  0.516742  1
  Ni  Ni250  1  0.706043  0.479532  0.483327  1
  Ni  Ni251  1  0.856677  0.392878  0.500035  1
  Ni  Ni252  1  0.523344  0.392878  0.500035  1
  Ni  Ni253  1  0.292547  0.546157  0.566737  1
  Ni  Ni254  1  0.959214  0.546157  0.566737  1
  Ni  Ni255  1  0.157938  0.219547  0.533417  1
  Ni  Ni256  1  0.308594  0.132817  0.550078  1
  Ni  Ni257  1  0.625880  0.546157  0.566737  1
  Ni  Ni258  1  0.824604  0.219547  0.533417  1
  Ni  Ni259  1  0.975260  0.132817  0.550078  1
  Ni  Ni260  1  0.125880  0.046157  0.566737  1
  Ni  Ni261  1  0.324604  0.719547  0.533417  1
  Ni  Ni262  1  0.491271  0.219547  0.533417  1
  Ni  Ni263  1  0.641927  0.132817  0.550078  1
  Ni  Ni264  1  0.792547  0.046157  0.566737  1
  Ni  Ni265  1  0.991271  0.719547  0.533417  1
  Ni  Ni266  1  0.141927  0.632817  0.550078  1
  Ni  Ni267  1  0.459214  0.046157  0.566737  1
  Ni  Ni268  1  0.657938  0.719547  0.533417  1
  Ni  Ni269  1  0.808594  0.632817  0.550078  1
  Ni  Ni270  1  0.475260  0.632817  0.550078  1
  Ni  Ni271  1  0.244469  0.786289  0.616975  1
  Ni  Ni272  1  0.911136  0.786289  0.616975  1
  Ni  Ni273  1  0.109910  0.459542  0.583464  1
  Ni  Ni274  1  0.260520  0.372948  0.600263  1
  Ni  Ni275  1  0.577803  0.786289  0.616975  1
  Ni  Ni276  1  0.776577  0.459542  0.583464  1
  Ni  Ni277  1  0.927187  0.372948  0.600263  1
  Ni  Ni278  1  0.077803  0.286289  0.616975  1
  Ni  Ni279  1  0.276577  0.959542  0.583464  1
  Ni  Ni280  1  0.443244  0.459542  0.583464  1
  Ni  Ni281  1  0.593853  0.372948  0.600263  1
  Ni  Ni282  1  0.744469  0.286289  0.616975  1
  Ni  Ni283  1  0.943244  0.959542  0.583464  1
  Ni  Ni284  1  0.093853  0.872948  0.600263  1
  Ni  Ni285  1  0.411136  0.286289  0.616975  1
  Ni  Ni286  1  0.609910  0.959542  0.583464  1
  Ni  Ni287  1  0.760520  0.872948  0.600263  1
  Ni  Ni288  1  0.427187  0.872948  0.600263  1
  Ni  Ni289  1  0.196055  0.026062  0.666572  1
  Ni  Ni290  1  0.862721  0.026062  0.666572  1
  Ni  Ni291  1  0.061552  0.699625  0.633516  1
  Ni  Ni292  1  0.212779  0.612197  0.650036  1
  Ni  Ni293  1  0.529388  0.026062  0.666572  1
  Ni  Ni294  1  0.728219  0.699625  0.633516  1
  Ni  Ni295  1  0.879445  0.612197  0.650036  1
  Ni  Ni296  1  0.029388  0.526062  0.666572  1
  Ni  Ni297  1  0.228219  0.199625  0.633516  1
  Ni  Ni298  1  0.394886  0.699625  0.633516  1
  Ni  Ni299  1  0.546112  0.612197  0.650036  1
  Ni  Ni300  1  0.696055  0.526062  0.666572  1
  Ni  Ni301  1  0.894886  0.199625  0.633516  1
  Ni  Ni302  1  0.046112  0.112197  0.650036  1
  Ni  Ni303  1  0.362721  0.526062  0.666572  1
  Ni  Ni304  1  0.561552  0.199625  0.633516  1
  Ni  Ni305  1  0.712779  0.112197  0.650036  1
  Ni  Ni306  1  0.379445  0.112197  0.650036  1
  Ni  Ni307  1  0.148272  0.267992  0.716634  1
  Ni  Ni308  1  0.814939  0.267992  0.716634  1
  Ni  Ni309  1  0.014296  0.939507  0.683425  1
  Ni  Ni310  1  0.163976  0.854428  0.700712  1
  Ni  Ni311  1  0.481605  0.267992  0.716634  1
  Ni  Ni312  1  0.680963  0.939507  0.683425  1
  Ni  Ni313  1  0.830643  0.854428  0.700712  1
  Ni  Ni314  1  0.981605  0.767992  0.716634  1
  Ni  Ni315  1  0.180963  0.439507  0.683425  1
  Ni  Ni316  1  0.347629  0.939507  0.683425  1
  Ni  Ni317  1  0.497310  0.854428  0.700712  1
  Ni  Ni318  1  0.648272  0.767992  0.716634  1
  Ni  Ni319  1  0.847629  0.439507  0.683425  1
  Ni  Ni320  1  0.997310  0.354428  0.700712  1
  Ni  Ni321  1  0.314939  0.767992  0.716634  1
  Ni  Ni322  1  0.514296  0.439507  0.683425  1
  Ni  Ni323  1  0.663976  0.354428  0.700712  1
  Ni  Ni324  1  0.330643  0.354428  0.700712  1
