# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.00157024
_cell_length_b   10.28630419
_cell_length_c   46.86788190
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.47667990
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe90 Ni90'
_cell_volume   4474.36200293
_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  0.119296  0.236533  0.292215  1
  Fe  Fe2  1  0.785962  0.236533  0.292215  1
  Fe  Fe3  1  0.734888  0.801066  0.277698  1
  Fe  Fe4  1  0.452629  0.236533  0.292215  1
  Fe  Fe5  1  0.401555  0.801066  0.277698  1
  Fe  Fe6  1  0.503420  0.671116  0.306884  1
  Fe  Fe7  1  0.068221  0.801066  0.277698  1
  Fe  Fe8  1  0.170087  0.671116  0.306884  1
  Fe  Fe9  1  0.836753  0.671116  0.306884  1
  Fe  Fe10  1  0.269994  0.537291  0.336743  1
  Fe  Fe11  1  0.936661  0.537291  0.336743  1
  Fe  Fe12  1  0.886115  0.102933  0.321774  1
  Fe  Fe13  1  0.603327  0.537291  0.336743  1
  Fe  Fe14  1  0.552782  0.102933  0.321774  1
  Fe  Fe15  1  0.653473  0.970679  0.352012  1
  Fe  Fe16  1  0.219448  0.102933  0.321774  1
  Fe  Fe17  1  0.320140  0.970679  0.352012  1
  Fe  Fe18  1  0.986807  0.970679  0.352012  1
  Fe  Fe19  1  0.419237  0.835249  0.382703  1
  Fe  Fe20  1  0.085904  0.835249  0.382703  1
  Fe  Fe21  1  0.036348  0.402954  0.367234  1
  Fe  Fe22  1  0.752571  0.835249  0.382703  1
  Fe  Fe23  1  0.703015  0.402954  0.367234  1
  Fe  Fe24  1  0.802344  0.267948  0.397778  1
  Fe  Fe25  1  0.369682  0.402954  0.367234  1
  Fe  Fe26  1  0.469010  0.267948  0.397778  1
  Fe  Fe27  1  0.135677  0.267948  0.397778  1
  Fe  Fe28  1  0.568617  0.133499  0.428040  1
  Fe  Fe29  1  0.235284  0.133499  0.428040  1
  Fe  Fe30  1  0.185430  0.700629  0.412908  1
  Fe  Fe31  1  0.901950  0.133499  0.428040  1
  Fe  Fe32  1  0.852097  0.700629  0.412908  1
  Fe  Fe33  1  0.951747  0.566260  0.443196  1
  Fe  Fe34  1  0.518764  0.700629  0.412908  1
  Fe  Fe35  1  0.618414  0.566260  0.443196  1
  Fe  Fe36  1  0.285080  0.566260  0.443196  1
  Fe  Fe37  1  0.717973  0.431713  0.473566  1
  Fe  Fe38  1  0.384640  0.431713  0.473566  1
  Fe  Fe39  1  0.334876  0.999018  0.458365  1
  Fe  Fe40  1  0.051306  0.431713  0.473566  1
  Fe  Fe41  1  1.001542  0.999018  0.458365  1
  Fe  Fe42  1  0.101027  0.864325  0.488754  1
  Fe  Fe43  1  0.668209  0.999018  0.458365  1
  Fe  Fe44  1  0.767694  0.864325  0.488754  1
  Fe  Fe45  1  0.434361  0.864325  0.488754  1
  Fe  Fe46  1  0.867208  0.729689  0.519138  1
  Fe  Fe47  1  0.533875  0.729689  0.519138  1
  Fe  Fe48  1  0.484158  0.297086  0.503914  1
  Fe  Fe49  1  0.200541  0.729689  0.519138  1
  Fe  Fe50  1  0.150825  0.297086  0.503914  1
  Fe  Fe51  1  0.250364  0.162500  0.534223  1
  Fe  Fe52  1  0.817491  0.297086  0.503914  1
  Fe  Fe53  1  0.917031  0.162500  0.534223  1
  Fe  Fe54  1  0.583698  0.162500  0.534223  1
  Fe  Fe55  1  0.016601  0.027974  0.564513  1
  Fe  Fe56  1  0.683268  0.027974  0.564513  1
  Fe  Fe57  1  0.633442  0.595158  0.549531  1
  Fe  Fe58  1  0.349934  0.027974  0.564513  1
  Fe  Fe59  1  0.300108  0.595158  0.549531  1
  Fe  Fe60  1  0.399731  0.460737  0.579827  1
  Fe  Fe61  1  0.966775  0.595158  0.549531  1
  Fe  Fe62  1  0.066398  0.460737  0.579827  1
  Fe  Fe63  1  0.733065  0.460737  0.579827  1
  Fe  Fe64  1  0.165925  0.326123  0.610025  1
  Fe  Fe65  1  0.832591  0.326123  0.610025  1
  Fe  Fe66  1  0.782742  0.893261  0.594932  1
  Fe  Fe67  1  0.499258  0.326123  0.610025  1
  Fe  Fe68  1  0.449408  0.893261  0.594932  1
  Fe  Fe69  1  0.548847  0.758479  0.625514  1
  Fe  Fe70  1  0.116075  0.893261  0.594932  1
  Fe  Fe71  1  0.215514  0.758479  0.625514  1
  Fe  Fe72  1  0.882180  0.758479  0.625514  1
  Fe  Fe73  1  0.315072  0.623948  0.656063  1
  Fe  Fe74  1  0.981739  0.623948  0.656063  1
  Fe  Fe75  1  0.931998  0.191268  0.640402  1
  Fe  Fe76  1  0.648405  0.623948  0.656063  1
  Fe  Fe77  1  0.598664  0.191268  0.640402  1
  Fe  Fe78  1  0.699131  0.058523  0.670350  1
  Fe  Fe79  1  0.265331  0.191268  0.640402  1
  Fe  Fe80  1  0.365798  0.058523  0.670350  1
  Fe  Fe81  1  0.032464  0.058523  0.670350  1
  Fe  Fe82  1  0.464395  0.922216  0.700737  1
  Fe  Fe83  1  0.131062  0.922216  0.700737  1
  Fe  Fe84  1  0.081602  0.489928  0.685921  1
  Fe  Fe85  1  0.797728  0.922216  0.700737  1
  Fe  Fe86  1  0.748268  0.489928  0.685921  1
  Fe  Fe87  1  0.848163  0.355922  0.715534  1
  Fe  Fe88  1  0.414935  0.489928  0.685921  1
  Fe  Fe89  1  0.514830  0.355922  0.715534  1
  Fe  Fe90  1  0.181496  0.355922  0.715534  1
  Ni  Ni91  1  0.261496  0.520918  0.284121  1
  Ni  Ni92  1  0.928162  0.520918  0.284121  1
  Ni  Ni93  1  0.028388  0.387711  0.314123  1
  Ni  Ni94  1  0.594829  0.520918  0.284121  1
  Ni  Ni95  1  0.695055  0.387711  0.314123  1
  Ni  Ni96  1  0.645337  0.954874  0.298903  1
  Ni  Ni97  1  0.361721  0.387711  0.314123  1
  Ni  Ni98  1  0.312004  0.954874  0.298903  1
  Ni  Ni99  1  0.978671  0.954874  0.298903  1
  Ni  Ni100  1  0.411683  0.820683  0.329982  1
  Ni  Ni101  1  0.078350  0.820683  0.329982  1
  Ni  Ni102  1  0.178052  0.686473  0.359806  1
  Ni  Ni103  1  0.745017  0.820683  0.329982  1
  Ni  Ni104  1  0.844719  0.686473  0.359806  1
  Ni  Ni105  1  0.795078  0.253985  0.344834  1
  Ni  Ni106  1  0.511385  0.686473  0.359806  1
  Ni  Ni107  1  0.461745  0.253985  0.344834  1
  Ni  Ni108  1  0.128411  0.253985  0.344834  1
  Ni  Ni109  1  0.561115  0.119064  0.374898  1
  Ni  Ni110  1  0.227782  0.119064  0.374898  1
  Ni  Ni111  1  0.327290  0.984429  0.405243  1
  Ni  Ni112  1  0.894448  0.119064  0.374898  1
  Ni  Ni113  1  0.993957  0.984429  0.405243  1
  Ni  Ni114  1  0.944102  0.551553  0.390011  1
  Ni  Ni115  1  0.660623  0.984429  0.405243  1
  Ni  Ni116  1  0.610769  0.551553  0.390011  1
  Ni  Ni117  1  0.277436  0.551553  0.390011  1
  Ni  Ni118  1  0.710400  0.417147  0.420423  1
  Ni  Ni119  1  0.377067  0.417147  0.420423  1
  Ni  Ni120  1  0.476649  0.282647  0.450826  1
  Ni  Ni121  1  0.043734  0.417147  0.420423  1
  Ni  Ni122  1  0.143316  0.282647  0.450826  1
  Ni  Ni123  1  0.093507  0.849863  0.435690  1
  Ni  Ni124  1  0.809982  0.282647  0.450826  1
  Ni  Ni125  1  0.760173  0.849863  0.435690  1
  Ni  Ni126  1  0.426840  0.849863  0.435690  1
  Ni  Ni127  1  0.859725  0.715304  0.466010  1
  Ni  Ni128  1  0.526392  0.715304  0.466010  1
  Ni  Ni129  1  0.625930  0.580714  0.496358  1
  Ni  Ni130  1  0.193059  0.715304  0.466010  1
  Ni  Ni131  1  0.292597  0.580714  0.496358  1
  Ni  Ni132  1  0.242832  0.148015  0.481137  1
  Ni  Ni133  1  0.959264  0.580714  0.496358  1
  Ni  Ni134  1  0.909498  0.148015  0.481137  1
  Ni  Ni135  1  0.576165  0.148015  0.481137  1
  Ni  Ni136  1  0.009012  0.013379  0.511460  1
  Ni  Ni137  1  0.675679  0.013379  0.511460  1
  Ni  Ni138  1  0.775202  0.878762  0.541845  1
  Ni  Ni139  1  0.342345  0.013379  0.511460  1
  Ni  Ni140  1  0.441869  0.878762  0.541845  1
  Ni  Ni141  1  0.392158  0.446170  0.526698  1
  Ni  Ni142  1  0.108536  0.878762  0.541845  1
  Ni  Ni143  1  0.058824  0.446170  0.526698  1
  Ni  Ni144  1  0.725491  0.446170  0.526698  1
  Ni  Ni145  1  0.158377  0.311610  0.556988  1
  Ni  Ni146  1  0.825044  0.311610  0.556988  1
  Ni  Ni147  1  0.924541  0.176939  0.587301  1
  Ni  Ni148  1  0.491710  0.311610  0.556988  1
  Ni  Ni149  1  0.591208  0.176939  0.587301  1
  Ni  Ni150  1  0.541463  0.744287  0.572294  1
  Ni  Ni151  1  0.257875  0.176939  0.587301  1
  Ni  Ni152  1  0.208130  0.744287  0.572294  1
  Ni  Ni153  1  0.874796  0.744287  0.572294  1
  Ni  Ni154  1  0.307720  0.609800  0.602741  1
  Ni  Ni155  1  0.974386  0.609800  0.602741  1
  Ni  Ni156  1  0.073916  0.475194  0.632941  1
  Ni  Ni157  1  0.641053  0.609800  0.602741  1
  Ni  Ni158  1  0.740582  0.475194  0.632941  1
  Ni  Ni159  1  0.690686  0.042231  0.617539  1
  Ni  Ni160  1  0.407249  0.475194  0.632941  1
  Ni  Ni161  1  0.357352  0.042231  0.617539  1
  Ni  Ni162  1  0.024019  0.042231  0.617539  1
  Ni  Ni163  1  0.456814  0.907495  0.648033  1
  Ni  Ni164  1  0.123481  0.907495  0.648033  1
  Ni  Ni165  1  0.223315  0.773557  0.678714  1
  Ni  Ni166  1  0.790148  0.907495  0.648033  1
  Ni  Ni167  1  0.889982  0.773557  0.678714  1
  Ni  Ni168  1  0.840154  0.340647  0.662886  1
  Ni  Ni169  1  0.556649  0.773557  0.678714  1
  Ni  Ni170  1  0.506821  0.340647  0.662886  1
  Ni  Ni171  1  0.173487  0.340647  0.662886  1
  Ni  Ni172  1  0.605956  0.205201  0.693572  1
  Ni  Ni173  1  0.272623  0.205201  0.693572  1
  Ni  Ni174  1  0.370947  0.068296  0.722959  1
  Ni  Ni175  1  0.939289  0.205201  0.693572  1
  Ni  Ni176  1  0.037614  0.068296  0.722959  1
  Ni  Ni177  1  0.989577  0.638931  0.708898  1
  Ni  Ni178  1  0.704281  0.068296  0.722959  1
  Ni  Ni179  1  0.656244  0.638931  0.708898  1
  Ni  Ni180  1  0.322911  0.638931  0.708898  1
