# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85622488
_cell_length_b   12.48917791
_cell_length_c   46.92135690
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe162 Ni54'
_cell_volume   5312.99840265
_cell_formula_units_Z   54
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  0.481375  0.287424  0.291711  1
  Fe  Fe2  1  0.981375  0.287424  0.291711  1
  Fe  Fe3  1  0.349603  0.551430  0.323199  1
  Fe  Fe4  1  0.414340  0.917610  0.306830  1
  Fe  Fe5  1  0.849603  0.551430  0.323199  1
  Fe  Fe6  1  0.914340  0.917610  0.306830  1
  Fe  Fe7  1  0.446241  0.102590  0.298682  1
  Fe  Fe8  1  0.946241  0.102590  0.298682  1
  Fe  Fe9  1  0.312228  0.370909  0.332324  1
  Fe  Fe10  1  0.380814  0.733665  0.313986  1
  Fe  Fe11  1  0.812228  0.370909  0.332324  1
  Fe  Fe12  1  0.880814  0.733665  0.313986  1
  Fe  Fe13  1  0.226345  0.286972  0.291725  1
  Fe  Fe14  1  0.726345  0.286972  0.291725  1
  Fe  Fe15  1  0.094322  0.551504  0.323196  1
  Fe  Fe16  1  0.162924  0.917504  0.306834  1
  Fe  Fe17  1  0.594322  0.551504  0.323196  1
  Fe  Fe18  1  0.662924  0.917504  0.306834  1
  Fe  Fe19  1  0.279278  0.189129  0.340027  1
  Fe  Fe20  1  0.779278  0.189129  0.340027  1
  Fe  Fe21  1  0.142330  0.461136  0.371631  1
  Fe  Fe22  1  0.211435  0.824618  0.355241  1
  Fe  Fe23  1  0.642330  0.461136  0.371631  1
  Fe  Fe24  1  0.711435  0.824618  0.355241  1
  Fe  Fe25  1  0.244764  0.006125  0.347740  1
  Fe  Fe26  1  0.744764  0.006125  0.347740  1
  Fe  Fe27  1  0.108985  0.278519  0.379704  1
  Fe  Fe28  1  0.177454  0.641202  0.363399  1
  Fe  Fe29  1  0.608985  0.278519  0.379704  1
  Fe  Fe30  1  0.677454  0.641202  0.363399  1
  Fe  Fe31  1  0.027101  0.189179  0.340015  1
  Fe  Fe32  1  0.527101  0.189179  0.340015  1
  Fe  Fe33  1  0.892808  0.461124  0.371625  1
  Fe  Fe34  1  0.959966  0.824660  0.355238  1
  Fe  Fe35  1  0.392808  0.461124  0.371625  1
  Fe  Fe36  1  0.459966  0.824660  0.355238  1
  Fe  Fe37  1  0.074856  0.096584  0.387355  1
  Fe  Fe38  1  0.574856  0.096584  0.387355  1
  Fe  Fe39  1  0.939264  0.369032  0.419141  1
  Fe  Fe40  1  0.007304  0.732652  0.402944  1
  Fe  Fe41  1  0.439264  0.369032  0.419141  1
  Fe  Fe42  1  0.507304  0.732652  0.402944  1
  Fe  Fe43  1  0.041131  0.914704  0.394987  1
  Fe  Fe44  1  0.541131  0.914704  0.394987  1
  Fe  Fe45  1  0.905351  0.186978  0.427072  1
  Fe  Fe46  1  0.973041  0.551134  0.411060  1
  Fe  Fe47  1  0.405351  0.186978  0.427072  1
  Fe  Fe48  1  0.473041  0.551134  0.411060  1
  Fe  Fe49  1  0.825327  0.096567  0.387352  1
  Fe  Fe50  1  0.325327  0.096567  0.387352  1
  Fe  Fe51  1  0.689153  0.369016  0.419144  1
  Fe  Fe52  1  0.757087  0.732644  0.402946  1
  Fe  Fe53  1  0.189153  0.369016  0.419144  1
  Fe  Fe54  1  0.257087  0.732644  0.402946  1
  Fe  Fe55  1  0.871495  0.004925  0.434894  1
  Fe  Fe56  1  0.371495  0.004925  0.434894  1
  Fe  Fe57  1  0.735715  0.277077  0.466720  1
  Fe  Fe58  1  0.803664  0.640760  0.450567  1
  Fe  Fe59  1  0.235715  0.277077  0.466720  1
  Fe  Fe60  1  0.303664  0.640760  0.450567  1
  Fe  Fe61  1  0.837613  0.822683  0.442651  1
  Fe  Fe62  1  0.337613  0.822683  0.442651  1
  Fe  Fe63  1  0.701626  0.095409  0.474717  1
  Fe  Fe64  1  0.769795  0.458777  0.458621  1
  Fe  Fe65  1  0.201626  0.095409  0.474717  1
  Fe  Fe66  1  0.269795  0.458777  0.458621  1
  Fe  Fe67  1  0.621377  0.004927  0.434897  1
  Fe  Fe68  1  0.121377  0.004927  0.434897  1
  Fe  Fe69  1  0.485796  0.277077  0.466714  1
  Fe  Fe70  1  0.553678  0.640772  0.450566  1
  Fe  Fe71  1  0.985796  0.277077  0.466714  1
  Fe  Fe72  1  0.053678  0.640772  0.450566  1
  Fe  Fe73  1  0.667893  0.913012  0.482354  1
  Fe  Fe74  1  0.167893  0.913012  0.482354  1
  Fe  Fe75  1  0.531817  0.185946  0.514571  1
  Fe  Fe76  1  0.600377  0.548545  0.498051  1
  Fe  Fe77  1  0.031817  0.185946  0.514571  1
  Fe  Fe78  1  0.100377  0.548545  0.498051  1
  Fe  Fe79  1  0.634148  0.730721  0.490089  1
  Fe  Fe80  1  0.134148  0.730721  0.490089  1
  Fe  Fe81  1  0.498063  0.003529  0.522132  1
  Fe  Fe82  1  0.566256  0.367002  0.506277  1
  Fe  Fe83  1  0.998063  0.003529  0.522132  1
  Fe  Fe84  1  0.066256  0.367002  0.506277  1
  Fe  Fe85  1  0.417888  0.913015  0.482353  1
  Fe  Fe86  1  0.917888  0.913015  0.482353  1
  Fe  Fe87  1  0.281781  0.185921  0.514576  1
  Fe  Fe88  1  0.350393  0.548546  0.498055  1
  Fe  Fe89  1  0.781781  0.185921  0.514576  1
  Fe  Fe90  1  0.850393  0.548546  0.498055  1
  Fe  Fe91  1  0.464623  0.820762  0.529674  1
  Fe  Fe92  1  0.964623  0.820762  0.529674  1
  Fe  Fe93  1  0.328270  0.093811  0.562028  1
  Fe  Fe94  1  0.396928  0.456444  0.545772  1
  Fe  Fe95  1  0.828270  0.093811  0.562028  1
  Fe  Fe96  1  0.896928  0.456444  0.545772  1
  Fe  Fe97  1  0.431013  0.638203  0.537442  1
  Fe  Fe98  1  0.931013  0.638203  0.537442  1
  Fe  Fe99  1  0.294880  0.911021  0.569277  1
  Fe  Fe100  1  0.362132  0.276166  0.554466  1
  Fe  Fe101  1  0.794880  0.911021  0.569277  1
  Fe  Fe102  1  0.862132  0.276166  0.554466  1
  Fe  Fe103  1  0.214498  0.820775  0.529676  1
  Fe  Fe104  1  0.714498  0.820775  0.529676  1
  Fe  Fe105  1  0.078444  0.093804  0.562020  1
  Fe  Fe106  1  0.147079  0.456469  0.545763  1
  Fe  Fe107  1  0.578444  0.093804  0.562020  1
  Fe  Fe108  1  0.647079  0.456469  0.545763  1
  Fe  Fe109  1  0.261590  0.727881  0.576831  1
  Fe  Fe110  1  0.761590  0.727881  0.576831  1
  Fe  Fe111  1  0.125408  1.001316  0.609154  1
  Fe  Fe112  1  0.192733  0.366788  0.594409  1
  Fe  Fe113  1  0.625408  1.001316  0.609154  1
  Fe  Fe114  1  0.692733  0.366788  0.594409  1
  Fe  Fe115  1  0.227672  0.546075  0.585036  1
  Fe  Fe116  1  0.727672  0.546075  0.585036  1
  Fe  Fe117  1  0.092178  0.817695  0.616179  1
  Fe  Fe118  1  0.158385  0.184602  0.602155  1
  Fe  Fe119  1  0.592178  0.817695  0.616179  1
  Fe  Fe120  1  0.658385  0.184602  0.602155  1
  Fe  Fe121  1  0.011705  0.727896  0.576835  1
  Fe  Fe122  1  0.511705  0.727896  0.576835  1
  Fe  Fe123  1  0.874925  1.001310  0.609170  1
  Fe  Fe124  1  0.941825  0.366738  0.594426  1
  Fe  Fe125  1  0.374925  1.001310  0.609170  1
  Fe  Fe126  1  0.441825  0.366738  0.594426  1
  Fe  Fe127  1  0.059220  0.634120  0.624286  1
  Fe  Fe128  1  0.559220  0.634120  0.624286  1
  Fe  Fe129  1  0.922199  0.907288  0.655826  1
  Fe  Fe130  1  0.988177  0.272520  0.642289  1
  Fe  Fe131  1  0.422199  0.907288  0.655826  1
  Fe  Fe132  1  0.488177  0.272520  0.642289  1
  Fe  Fe133  1  0.023294  0.455692  0.633854  1
  Fe  Fe134  1  0.523294  0.455692  0.633854  1
  Fe  Fe135  1  0.887672  0.727923  0.662915  1
  Fe  Fe136  1  0.956535  0.089850  0.649237  1
  Fe  Fe137  1  0.387672  0.727923  0.662915  1
  Fe  Fe138  1  0.456535  0.089850  0.649237  1
  Fe  Fe139  1  0.808982  0.634238  0.624276  1
  Fe  Fe140  1  0.308982  0.634238  0.624276  1
  Fe  Fe141  1  0.673760  0.907293  0.655815  1
  Fe  Fe142  1  0.741545  0.272519  0.642261  1
  Fe  Fe143  1  0.173760  0.907293  0.655815  1
  Fe  Fe144  1  0.241545  0.272519  0.642261  1
  Fe  Fe145  1  0.853583  0.550822  0.674406  1
  Fe  Fe146  1  0.353583  0.550822  0.674406  1
  Fe  Fe147  1  0.730905  0.791226  0.704766  1
  Fe  Fe148  1  0.788655  0.176314  0.690255  1
  Fe  Fe149  1  0.230905  0.791226  0.704766  1
  Fe  Fe150  1  0.288655  0.176314  0.690255  1
  Fe  Fe151  1  0.816080  0.370798  0.685899  1
  Fe  Fe152  1  0.316080  0.370798  0.685899  1
  Fe  Fe153  1  0.699103  0.605302  0.715417  1
  Fe  Fe154  1  0.759567  0.984730  0.697654  1
  Fe  Fe155  1  0.199103  0.605302  0.715417  1
  Fe  Fe156  1  0.259567  0.984730  0.697654  1
  Fe  Fe157  1  0.598447  0.550704  0.674458  1
  Fe  Fe158  1  0.098447  0.550704  0.674458  1
  Fe  Fe159  1  0.481515  0.790888  0.704807  1
  Fe  Fe160  1  0.538991  0.176261  0.690275  1
  Fe  Fe161  1  0.981515  0.790888  0.704807  1
  Fe  Fe162  1  0.038991  0.176261  0.690275  1
  Ni  Ni163  1  0.196718  0.101551  0.301146  1
  Ni  Ni164  1  0.696718  0.101551  0.301146  1
  Ni  Ni165  1  0.265689  0.463568  0.285839  1
  Ni  Ni166  1  0.130887  0.733602  0.316487  1
  Ni  Ni167  1  0.765689  0.463568  0.285839  1
  Ni  Ni168  1  0.630887  0.733602  0.316487  1
  Ni  Ni169  1  0.994607  0.006548  0.347288  1
  Ni  Ni170  1  0.494607  0.006548  0.347288  1
  Ni  Ni171  1  0.062802  0.369959  0.332401  1
  Ni  Ni172  1  0.926587  0.642984  0.363288  1
  Ni  Ni173  1  0.562802  0.369959  0.332401  1
  Ni  Ni174  1  0.426587  0.642984  0.363288  1
  Ni  Ni175  1  0.791184  0.914562  0.395161  1
  Ni  Ni176  1  0.291184  0.914562  0.395161  1
  Ni  Ni177  1  0.858719  0.279059  0.379653  1
  Ni  Ni178  1  0.723194  0.550828  0.411093  1
  Ni  Ni179  1  0.358719  0.279059  0.379653  1
  Ni  Ni180  1  0.223194  0.550828  0.411093  1
  Ni  Ni181  1  0.587528  0.822863  0.442619  1
  Ni  Ni182  1  0.087528  0.822863  0.442619  1
  Ni  Ni183  1  0.655442  0.186796  0.427081  1
  Ni  Ni184  1  0.519758  0.458851  0.458608  1
  Ni  Ni185  1  0.155442  0.186796  0.427081  1
  Ni  Ni186  1  0.019758  0.458851  0.458608  1
  Ni  Ni187  1  0.384125  0.730767  0.490111  1
  Ni  Ni188  1  0.884125  0.730767  0.490111  1
  Ni  Ni189  1  0.451667  0.095324  0.474698  1
  Ni  Ni190  1  0.316275  0.366960  0.506277  1
  Ni  Ni191  1  0.951667  0.095324  0.474698  1
  Ni  Ni192  1  0.816275  0.366960  0.506277  1
  Ni  Ni193  1  0.180972  0.638288  0.537469  1
  Ni  Ni194  1  0.680972  0.638288  0.537469  1
  Ni  Ni195  1  0.248085  0.003494  0.522113  1
  Ni  Ni196  1  0.112277  0.275875  0.554467  1
  Ni  Ni197  1  0.748085  0.003494  0.522113  1
  Ni  Ni198  1  0.612277  0.275875  0.554467  1
  Ni  Ni199  1  0.977551  0.546282  0.585015  1
  Ni  Ni200  1  0.477551  0.546282  0.585015  1
  Ni  Ni201  1  0.044821  0.911119  0.569343  1
  Ni  Ni202  1  0.908779  0.183861  0.601916  1
  Ni  Ni203  1  0.544821  0.911119  0.569343  1
  Ni  Ni204  1  0.408779  0.183861  0.601916  1
  Ni  Ni205  1  0.773608  0.455048  0.634901  1
  Ni  Ni206  1  0.273608  0.455048  0.634901  1
  Ni  Ni207  1  0.842126  0.817815  0.616136  1
  Ni  Ni208  1  0.706227  0.090387  0.649492  1
  Ni  Ni209  1  0.342126  0.817815  0.616136  1
  Ni  Ni210  1  0.206227  0.090387  0.649492  1
  Ni  Ni211  1  0.569946  0.363023  0.680707  1
  Ni  Ni212  1  0.069946  0.363023  0.680707  1
  Ni  Ni213  1  0.638442  0.726184  0.663113  1
  Ni  Ni214  1  0.508517  0.986764  0.695504  1
  Ni  Ni215  1  0.138442  0.726184  0.663113  1
  Ni  Ni216  1  0.008517  0.986764  0.695504  1
