# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.54982051
_cell_length_b   10.02747205
_cell_length_c   47.36980636
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.67838402
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe162 Ni162'
_cell_volume   7418.38477877
_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  0.543207  0.277727  0.283803  1
  Fe  Fe2  1  0.210183  0.278235  0.283934  1
  Fe  Fe3  1  0.363155  0.196744  0.299925  1
  Fe  Fe4  1  0.511293  0.114371  0.317718  1
  Fe  Fe5  1  0.878115  0.278696  0.283931  1
  Fe  Fe6  1  0.030263  0.197023  0.299986  1
  Fe  Fe7  1  0.177953  0.115084  0.317778  1
  Fe  Fe8  1  0.376590  0.778016  0.283911  1
  Fe  Fe9  1  0.529560  0.696758  0.299786  1
  Fe  Fe10  1  0.695493  0.196613  0.300454  1
  Fe  Fe11  1  0.844411  0.115451  0.317673  1
  Fe  Fe12  1  0.043369  0.778583  0.283959  1
  Fe  Fe13  1  0.196420  0.696978  0.299966  1
  Fe  Fe14  1  0.344286  0.615009  0.317828  1
  Fe  Fe15  1  0.710381  0.778746  0.283730  1
  Fe  Fe16  1  0.863814  0.698327  0.299997  1
  Fe  Fe17  1  0.011423  0.615497  0.317827  1
  Fe  Fe18  1  0.726064  0.367740  0.268166  1
  Fe  Fe19  1  0.494425  0.532644  0.334573  1
  Fe  Fe20  1  0.162400  0.532267  0.334283  1
  Fe  Fe21  1  0.310860  0.450819  0.351001  1
  Fe  Fe22  1  0.460896  0.368535  0.367618  1
  Fe  Fe23  1  0.829142  0.531977  0.334079  1
  Fe  Fe24  1  0.977629  0.450933  0.350952  1
  Fe  Fe25  1  0.128024  0.368506  0.367505  1
  Fe  Fe26  1  0.328995  0.032086  0.334236  1
  Fe  Fe27  1  0.477734  0.950397  0.350897  1
  Fe  Fe28  1  0.644262  0.450352  0.351020  1
  Fe  Fe29  1  0.794679  0.368324  0.367539  1
  Fe  Fe30  1  0.995711  0.032478  0.334231  1
  Fe  Fe31  1  0.144199  0.951089  0.350976  1
  Fe  Fe32  1  0.294562  0.868562  0.367481  1
  Fe  Fe33  1  0.662114  0.031551  0.334281  1
  Fe  Fe34  1  0.810671  0.950635  0.350853  1
  Fe  Fe35  1  0.961243  0.868424  0.367486  1
  Fe  Fe36  1  0.678341  0.612842  0.316956  1
  Fe  Fe37  1  0.444053  0.786804  0.384024  1
  Fe  Fe38  1  0.110394  0.787335  0.384191  1
  Fe  Fe39  1  0.260147  0.705447  0.400864  1
  Fe  Fe40  1  0.409857  0.623707  0.417545  1
  Fe  Fe41  1  0.776930  0.787113  0.384042  1
  Fe  Fe42  1  0.926939  0.705192  0.400757  1
  Fe  Fe43  1  0.076486  0.623747  0.417535  1
  Fe  Fe44  1  0.277206  0.287154  0.384162  1
  Fe  Fe45  1  0.426932  0.205259  0.400822  1
  Fe  Fe46  1  0.593791  0.705103  0.400635  1
  Fe  Fe47  1  0.743130  0.623682  0.417354  1
  Fe  Fe48  1  0.943768  0.287157  0.384131  1
  Fe  Fe49  1  0.093700  0.205239  0.400779  1
  Fe  Fe50  1  0.243284  0.123682  0.417507  1
  Fe  Fe51  1  0.610356  0.287074  0.384206  1
  Fe  Fe52  1  0.760311  0.205216  0.400784  1
  Fe  Fe53  1  0.909771  0.123693  0.417473  1
  Fe  Fe54  1  0.627822  0.868461  0.367450  1
  Fe  Fe55  1  0.392992  0.041920  0.434184  1
  Fe  Fe56  1  0.059601  0.041877  0.434155  1
  Fe  Fe57  1  0.209307  0.960197  0.450816  1
  Fe  Fe58  1  0.359012  0.878456  0.467455  1
  Fe  Fe59  1  0.726264  0.041906  0.434159  1
  Fe  Fe60  1  0.875809  0.960245  0.450797  1
  Fe  Fe61  1  0.025520  0.878496  0.467474  1
  Fe  Fe62  1  0.226210  0.541979  0.434229  1
  Fe  Fe63  1  0.375864  0.460299  0.450885  1
  Fe  Fe64  1  0.542553  0.960299  0.450831  1
  Fe  Fe65  1  0.692237  0.878549  0.467459  1
  Fe  Fe66  1  0.892937  0.541872  0.434122  1
  Fe  Fe67  1  0.042555  0.460224  0.450825  1
  Fe  Fe68  1  0.192237  0.378491  0.467487  1
  Fe  Fe69  1  0.559683  0.541891  0.434178  1
  Fe  Fe70  1  0.709243  0.460276  0.450816  1
  Fe  Fe71  1  0.858936  0.378497  0.467475  1
  Fe  Fe72  1  0.576462  0.123702  0.417522  1
  Fe  Fe73  1  0.341898  0.296826  0.484155  1
  Fe  Fe74  1  0.008567  0.296786  0.484126  1
  Fe  Fe75  1  0.158232  0.215091  0.500798  1
  Fe  Fe76  1  0.307914  0.133424  0.517490  1
  Fe  Fe77  1  0.675239  0.296856  0.484146  1
  Fe  Fe78  1  0.824892  0.215137  0.500805  1
  Fe  Fe79  1  0.974546  0.133400  0.517459  1
  Fe  Fe80  1  0.175233  0.796812  0.484157  1
  Fe  Fe81  1  0.324932  0.715106  0.500822  1
  Fe  Fe82  1  0.491588  0.215126  0.500814  1
  Fe  Fe83  1  0.641257  0.133425  0.517469  1
  Fe  Fe84  1  0.841844  0.796833  0.484105  1
  Fe  Fe85  1  0.991522  0.715120  0.500805  1
  Fe  Fe86  1  0.141231  0.633428  0.517510  1
  Fe  Fe87  1  0.508619  0.796815  0.484104  1
  Fe  Fe88  1  0.658250  0.715136  0.500767  1
  Fe  Fe89  1  0.807889  0.633420  0.517436  1
  Fe  Fe90  1  0.525605  0.378531  0.467509  1
  Fe  Fe91  1  0.290887  0.551741  0.534165  1
  Fe  Fe92  1  0.957539  0.551727  0.534117  1
  Fe  Fe93  1  0.107243  0.469993  0.550769  1
  Fe  Fe94  1  0.256848  0.388332  0.567393  1
  Fe  Fe95  1  0.624213  0.551769  0.534137  1
  Fe  Fe96  1  0.773889  0.470008  0.550774  1
  Fe  Fe97  1  0.923523  0.388318  0.567427  1
  Fe  Fe98  1  0.124210  0.051708  0.534113  1
  Fe  Fe99  1  0.273953  0.969967  0.550787  1
  Fe  Fe100  1  0.440602  0.469989  0.550810  1
  Fe  Fe101  1  0.590177  0.388368  0.567463  1
  Fe  Fe102  1  0.790881  0.051738  0.534122  1
  Fe  Fe103  1  0.940538  0.969975  0.550764  1
  Fe  Fe104  1  0.090159  0.888337  0.567423  1
  Fe  Fe105  1  0.457550  0.051760  0.534149  1
  Fe  Fe106  1  0.607255  0.970008  0.550781  1
  Fe  Fe107  1  0.756869  0.888334  0.567428  1
  Fe  Fe108  1  0.474598  0.633424  0.517484  1
  Fe  Fe109  1  0.240028  0.806539  0.584145  1
  Fe  Fe110  1  0.906597  0.806508  0.584101  1
  Fe  Fe111  1  0.056119  0.724989  0.600834  1
  Fe  Fe112  1  0.206174  0.643110  0.617586  1
  Fe  Fe113  1  0.573303  0.806552  0.584095  1
  Fe  Fe114  1  0.722897  0.724981  0.600802  1
  Fe  Fe115  1  0.872709  0.643050  0.617451  1
  Fe  Fe116  1  0.073292  0.306501  0.584092  1
  Fe  Fe117  1  0.222759  0.225055  0.600811  1
  Fe  Fe118  1  0.389486  0.725025  0.600870  1
  Fe  Fe119  1  0.539278  0.643228  0.617498  1
  Fe  Fe120  1  0.739874  0.306617  0.584129  1
  Fe  Fe121  1  0.889474  0.224989  0.600829  1
  Fe  Fe122  1  0.039370  0.142963  0.617451  1
  Fe  Fe123  1  0.406722  0.306492  0.584076  1
  Fe  Fe124  1  0.556278  0.224915  0.600799  1
  Fe  Fe125  1  0.705998  0.143193  0.617471  1
  Fe  Fe126  1  0.423525  0.888336  0.567442  1
  Fe  Fe127  1  0.188507  0.061737  0.634084  1
  Fe  Fe128  1  0.855230  0.061860  0.634125  1
  Fe  Fe129  1  0.005614  0.979351  0.650621  1
  Fe  Fe130  1  0.154143  0.897913  0.667257  1
  Fe  Fe131  1  0.522042  0.061822  0.634123  1
  Fe  Fe132  1  0.672250  0.979609  0.650669  1
  Fe  Fe133  1  0.820887  0.898183  0.667373  1
  Fe  Fe134  1  0.021864  0.561721  0.634110  1
  Fe  Fe135  1  0.172246  0.479275  0.650557  1
  Fe  Fe136  1  0.338962  0.979250  0.650722  1
  Fe  Fe137  1  0.487815  0.898180  0.667297  1
  Fe  Fe138  1  0.688722  0.561806  0.634092  1
  Fe  Fe139  1  0.839020  0.479418  0.650640  1
  Fe  Fe140  1  0.987553  0.398084  0.667359  1
  Fe  Fe141  1  0.355365  0.561774  0.634235  1
  Fe  Fe142  1  0.505111  0.480023  0.650840  1
  Fe  Fe143  1  0.654270  0.398205  0.667359  1
  Fe  Fe144  1  0.372716  0.143225  0.617503  1
  Fe  Fe145  1  0.138678  0.315176  0.683846  1
  Fe  Fe146  1  0.805367  0.315168  0.683847  1
  Fe  Fe147  1  0.953434  0.233215  0.701657  1
  Fe  Fe148  1  0.106476  0.151432  0.717675  1
  Fe  Fe149  1  0.471840  0.315642  0.683858  1
  Fe  Fe150  1  0.620107  0.233449  0.701660  1
  Fe  Fe151  1  0.773041  0.151962  0.717665  1
  Fe  Fe152  1  0.972208  0.814957  0.683898  1
  Fe  Fe153  1  0.121095  0.732654  0.701680  1
  Fe  Fe154  1  0.286597  0.233094  0.701556  1
  Fe  Fe155  1  0.439222  0.153379  0.717680  1
  Fe  Fe156  1  0.638627  0.815448  0.683847  1
  Fe  Fe157  1  0.786711  0.733334  0.701662  1
  Fe  Fe158  1  0.939634  0.651701  0.717673  1
  Fe  Fe159  1  0.305055  0.814195  0.684286  1
  Fe  Fe160  1  0.454167  0.733536  0.701419  1
  Fe  Fe161  1  0.606465  0.652408  0.717656  1
  Fe  Fe162  1  0.321104  0.397249  0.667015  1
  Ni  Ni163  1  0.627774  0.028244  0.284677  1
  Ni  Ni164  1  0.294293  0.027947  0.284745  1
  Ni  Ni165  1  0.445967  0.946017  0.300352  1
  Ni  Ni166  1  0.595047  0.864001  0.317610  1
  Ni  Ni167  1  0.960815  0.028665  0.284711  1
  Ni  Ni168  1  0.112717  0.946358  0.300399  1
  Ni  Ni169  1  0.261390  0.865003  0.317744  1
  Ni  Ni170  1  0.460738  0.527703  0.284828  1
  Ni  Ni171  1  0.610162  0.446142  0.301135  1
  Ni  Ni172  1  0.779284  0.947150  0.300281  1
  Ni  Ni173  1  0.928291  0.865714  0.317783  1
  Ni  Ni174  1  0.127670  0.528191  0.284773  1
  Ni  Ni175  1  0.279355  0.446191  0.300418  1
  Ni  Ni176  1  0.428087  0.364610  0.317775  1
  Ni  Ni177  1  0.796392  0.529591  0.284273  1
  Ni  Ni178  1  0.946637  0.446726  0.300398  1
  Ni  Ni179  1  0.095016  0.365186  0.317773  1
  Ni  Ni180  1  0.761868  0.364469  0.317907  1
  Ni  Ni181  1  0.578251  0.281752  0.334119  1
  Ni  Ni182  1  0.245632  0.281928  0.333973  1
  Ni  Ni183  1  0.394237  0.200700  0.350804  1
  Ni  Ni184  1  0.544298  0.118508  0.367507  1
  Ni  Ni185  1  0.912245  0.282037  0.333938  1
  Ni  Ni186  1  0.060896  0.201132  0.350822  1
  Ni  Ni187  1  0.211219  0.118633  0.367494  1
  Ni  Ni188  1  0.412076  0.782032  0.333914  1
  Ni  Ni189  1  0.561292  0.700272  0.350549  1
  Ni  Ni190  1  0.727428  0.200783  0.350828  1
  Ni  Ni191  1  0.877731  0.118424  0.367427  1
  Ni  Ni192  1  0.078955  0.782218  0.334002  1
  Ni  Ni193  1  0.227378  0.701124  0.350865  1
  Ni  Ni194  1  0.377318  0.618833  0.367622  1
  Ni  Ni195  1  0.745352  0.781364  0.333792  1
  Ni  Ni196  1  0.894138  0.700963  0.350788  1
  Ni  Ni197  1  0.044534  0.618614  0.367519  1
  Ni  Ni198  1  0.711060  0.618421  0.367155  1
  Ni  Ni199  1  0.527171  0.537046  0.384305  1
  Ni  Ni200  1  0.193822  0.537287  0.384288  1
  Ni  Ni201  1  0.343537  0.455344  0.400925  1
  Ni  Ni202  1  0.493167  0.373679  0.417571  1
  Ni  Ni203  1  0.860450  0.537218  0.384155  1
  Ni  Ni204  1  0.010383  0.455197  0.400830  1
  Ni  Ni205  1  0.159915  0.373667  0.417515  1
  Ni  Ni206  1  0.360639  0.037029  0.384227  1
  Ni  Ni207  1  0.510347  0.955143  0.400824  1
  Ni  Ni208  1  0.677055  0.455157  0.400830  1
  Ni  Ni209  1  0.826570  0.373657  0.417511  1
  Ni  Ni210  1  0.027107  0.037275  0.384234  1
  Ni  Ni211  1  0.177047  0.955320  0.400846  1
  Ni  Ni212  1  0.326709  0.873602  0.417470  1
  Ni  Ni213  1  0.693758  0.037172  0.384239  1
  Ni  Ni214  1  0.843590  0.955148  0.400778  1
  Ni  Ni215  1  0.993125  0.873688  0.417502  1
  Ni  Ni216  1  0.659839  0.873666  0.417475  1
  Ni  Ni217  1  0.476392  0.791844  0.434071  1
  Ni  Ni218  1  0.142870  0.791964  0.434175  1
  Ni  Ni219  1  0.292561  0.710275  0.450843  1
  Ni  Ni220  1  0.442294  0.628521  0.467495  1
  Ni  Ni221  1  0.809528  0.791857  0.434075  1
  Ni  Ni222  1  0.959149  0.710249  0.450799  1
  Ni  Ni223  1  0.108863  0.628531  0.467514  1
  Ni  Ni224  1  0.309597  0.291934  0.434167  1
  Ni  Ni225  1  0.459204  0.210299  0.450839  1
  Ni  Ni226  1  0.625924  0.710277  0.450739  1
  Ni  Ni227  1  0.775557  0.628536  0.467412  1
  Ni  Ni228  1  0.976282  0.291843  0.434122  1
  Ni  Ni229  1  0.125909  0.210201  0.450803  1
  Ni  Ni230  1  0.275607  0.128492  0.467493  1
  Ni  Ni231  1  0.642946  0.291886  0.434156  1
  Ni  Ni232  1  0.792535  0.210275  0.450810  1
  Ni  Ni233  1  0.942215  0.128494  0.467462  1
  Ni  Ni234  1  0.608915  0.128548  0.467487  1
  Ni  Ni235  1  0.425245  0.046832  0.484165  1
  Ni  Ni236  1  0.091905  0.046785  0.484131  1
  Ni  Ni237  1  0.241615  0.965088  0.500800  1
  Ni  Ni238  1  0.391276  0.883398  0.517454  1
  Ni  Ni239  1  0.758553  0.046856  0.484139  1
  Ni  Ni240  1  0.908190  0.965118  0.500785  1
  Ni  Ni241  1  0.057877  0.883398  0.517452  1
  Ni  Ni242  1  0.258543  0.546842  0.484188  1
  Ni  Ni243  1  0.408247  0.465131  0.500837  1
  Ni  Ni244  1  0.574903  0.965136  0.500806  1
  Ni  Ni245  1  0.724561  0.883421  0.517447  1
  Ni  Ni246  1  0.925212  0.546830  0.484124  1
  Ni  Ni247  1  0.074885  0.465117  0.500802  1
  Ni  Ni248  1  0.224557  0.383410  0.517453  1
  Ni  Ni249  1  0.591930  0.546857  0.484149  1
  Ni  Ni250  1  0.741568  0.465144  0.500795  1
  Ni  Ni251  1  0.891231  0.383408  0.517454  1
  Ni  Ni252  1  0.557921  0.383430  0.517479  1
  Ni  Ni253  1  0.374252  0.301723  0.534127  1
  Ni  Ni254  1  0.040885  0.301700  0.534117  1
  Ni  Ni255  1  0.190577  0.219953  0.550788  1
  Ni  Ni256  1  0.340203  0.138357  0.567497  1
  Ni  Ni257  1  0.707551  0.301747  0.534137  1
  Ni  Ni258  1  0.857220  0.219999  0.550803  1
  Ni  Ni259  1  0.006839  0.138327  0.567462  1
  Ni  Ni260  1  0.207584  0.801716  0.534150  1
  Ni  Ni261  1  0.357281  0.719964  0.550821  1
  Ni  Ni262  1  0.523973  0.219971  0.550791  1
  Ni  Ni263  1  0.673575  0.138339  0.567465  1
  Ni  Ni264  1  0.874197  0.801710  0.534111  1
  Ni  Ni265  1  0.023901  0.719971  0.550804  1
  Ni  Ni266  1  0.173568  0.638371  0.567530  1
  Ni  Ni267  1  0.540907  0.801739  0.534115  1
  Ni  Ni268  1  0.690595  0.719998  0.550777  1
  Ni  Ni269  1  0.840205  0.638326  0.567449  1
  Ni  Ni270  1  0.506854  0.638367  0.567496  1
  Ni  Ni271  1  0.323294  0.556574  0.584152  1
  Ni  Ni272  1  0.989919  0.556544  0.584092  1
  Ni  Ni273  1  0.139442  0.475101  0.600739  1
  Ni  Ni274  1  0.289332  0.393096  0.617249  1
  Ni  Ni275  1  0.656554  0.556630  0.584114  1
  Ni  Ni276  1  0.806162  0.474993  0.600752  1
  Ni  Ni277  1  0.956009  0.392972  0.617354  1
  Ni  Ni278  1  0.156593  0.056541  0.584082  1
  Ni  Ni279  1  0.306157  0.975085  0.600802  1
  Ni  Ni280  1  0.472808  0.475044  0.600829  1
  Ni  Ni281  1  0.622459  0.393278  0.617428  1
  Ni  Ni282  1  0.823233  0.056602  0.584104  1
  Ni  Ni283  1  0.972742  0.974991  0.600754  1
  Ni  Ni284  1  0.122654  0.892959  0.617329  1
  Ni  Ni285  1  0.489940  0.056571  0.584118  1
  Ni  Ni286  1  0.639521  0.974994  0.600765  1
  Ni  Ni287  1  0.789321  0.893102  0.617373  1
  Ni  Ni288  1  0.455978  0.893169  0.617371  1
  Ni  Ni289  1  0.272151  0.811752  0.634209  1
  Ni  Ni290  1  0.938664  0.811678  0.634144  1
  Ni  Ni291  1  0.088897  0.729190  0.650779  1
  Ni  Ni292  1  0.237920  0.647765  0.667919  1
  Ni  Ni293  1  0.605504  0.811699  0.634093  1
  Ni  Ni294  1  0.755701  0.729411  0.650801  1
  Ni  Ni295  1  0.904319  0.648359  0.667646  1
  Ni  Ni296  1  0.105306  0.311605  0.634116  1
  Ni  Ni297  1  0.255564  0.229060  0.650765  1
  Ni  Ni298  1  0.422179  0.729608  0.650865  1
  Ni  Ni299  1  0.571269  0.648306  0.667578  1
  Ni  Ni300  1  0.772035  0.311736  0.634128  1
  Ni  Ni301  1  0.922383  0.229274  0.650804  1
  Ni  Ni302  1  0.071019  0.148163  0.667653  1
  Ni  Ni303  1  0.438967  0.311614  0.634071  1
  Ni  Ni304  1  0.588935  0.229644  0.650816  1
  Ni  Ni305  1  0.737641  0.148395  0.667645  1
  Ni  Ni306  1  0.404440  0.148222  0.667647  1
  Ni  Ni307  1  0.221656  0.065056  0.683837  1
  Ni  Ni308  1  0.888432  0.065165  0.683874  1
  Ni  Ni309  1  0.037106  0.983814  0.701162  1
  Ni  Ni310  1  0.188206  0.902205  0.716510  1
  Ni  Ni311  1  0.554938  0.065702  0.683907  1
  Ni  Ni312  1  0.703822  0.984048  0.701216  1
  Ni  Ni313  1  0.855621  0.902071  0.716849  1
  Ni  Ni314  1  0.055062  0.565170  0.683866  1
  Ni  Ni315  1  0.204312  0.483666  0.700875  1
  Ni  Ni316  1  0.370703  0.984168  0.701130  1
  Ni  Ni317  1  0.522127  0.903052  0.716837  1
  Ni  Ni318  1  0.721780  0.565347  0.683856  1
  Ni  Ni319  1  0.870505  0.483882  0.701198  1
  Ni  Ni320  1  0.022315  0.401912  0.716846  1
  Ni  Ni321  1  0.387282  0.565660  0.684357  1
  Ni  Ni322  1  0.537432  0.484001  0.701206  1
  Ni  Ni323  1  0.688954  0.402352  0.716851  1
  Ni  Ni324  1  0.354291  0.402904  0.716292  1
