# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.77745098
_cell_length_b   10.20394579
_cell_length_c   48.06118262
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.76060763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe162 Ni162'
_cell_volume   7768.36444135
_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  0.612307  0.112008  0.298551  1
  Fe  Fe2  1  0.278921  0.112341  0.298560  1
  Fe  Fe3  1  0.427473  0.030992  0.316039  1
  Fe  Fe4  1  0.625948  0.692304  0.281873  1
  Fe  Fe5  1  0.945551  0.112571  0.298647  1
  Fe  Fe6  1  0.094151  0.031273  0.316093  1
  Fe  Fe7  1  0.292928  0.692673  0.281854  1
  Fe  Fe8  1  0.445552  0.612259  0.298564  1
  Fe  Fe9  1  0.594076  0.530831  0.316066  1
  Fe  Fe10  1  0.761049  0.030533  0.316051  1
  Fe  Fe11  1  0.910499  0.951380  0.332661  1
  Fe  Fe12  1  0.111704  0.612830  0.298372  1
  Fe  Fe13  1  0.260755  0.531111  0.316030  1
  Fe  Fe14  1  0.459647  0.192497  0.281852  1
  Fe  Fe15  1  0.777521  0.611780  0.298708  1
  Fe  Fe16  1  0.927587  0.531731  0.315652  1
  Fe  Fe17  1  0.126310  0.192775  0.281878  1
  Fe  Fe18  1  0.793254  0.191716  0.281883  1
  Fe  Fe19  1  0.559747  0.369173  0.348961  1
  Fe  Fe20  1  0.226569  0.369212  0.348994  1
  Fe  Fe21  1  0.376470  0.287904  0.365618  1
  Fe  Fe22  1  0.577430  0.950246  0.332320  1
  Fe  Fe23  1  0.893069  0.369487  0.348891  1
  Fe  Fe24  1  0.043179  0.287916  0.365641  1
  Fe  Fe25  1  0.244068  0.950264  0.332345  1
  Fe  Fe26  1  0.393049  0.869250  0.348968  1
  Fe  Fe27  1  0.543001  0.787963  0.365640  1
  Fe  Fe28  1  0.709656  0.288032  0.365621  1
  Fe  Fe29  1  0.858982  0.207168  0.382183  1
  Fe  Fe30  1  0.059689  0.869350  0.349022  1
  Fe  Fe31  1  0.209719  0.787911  0.365605  1
  Fe  Fe32  1  0.410732  0.450289  0.332334  1
  Fe  Fe33  1  0.726713  0.868991  0.348866  1
  Fe  Fe34  1  0.876471  0.788034  0.365483  1
  Fe  Fe35  1  0.077970  0.449393  0.332565  1
  Fe  Fe36  1  0.743837  0.450253  0.332338  1
  Fe  Fe37  1  0.508612  0.626007  0.398961  1
  Fe  Fe38  1  0.175308  0.626053  0.398910  1
  Fe  Fe39  1  0.324817  0.545014  0.415654  1
  Fe  Fe40  1  0.525678  0.207040  0.382202  1
  Fe  Fe41  1  0.842079  0.626002  0.398846  1
  Fe  Fe42  1  0.991445  0.545032  0.415581  1
  Fe  Fe43  1  0.192361  0.207157  0.382213  1
  Fe  Fe44  1  0.342025  0.125984  0.398944  1
  Fe  Fe45  1  0.491537  0.044921  0.415639  1
  Fe  Fe46  1  0.658179  0.544976  0.415642  1
  Fe  Fe47  1  0.807805  0.463913  0.432319  1
  Fe  Fe48  1  0.008710  0.126077  0.398966  1
  Fe  Fe49  1  0.158176  0.045027  0.415666  1
  Fe  Fe50  1  0.358955  0.707115  0.382207  1
  Fe  Fe51  1  0.675254  0.126047  0.398961  1
  Fe  Fe52  1  0.824767  0.045084  0.415678  1
  Fe  Fe53  1  0.025567  0.707160  0.382102  1
  Fe  Fe54  1  0.692431  0.707040  0.382171  1
  Fe  Fe55  1  0.457307  0.882789  0.449038  1
  Fe  Fe56  1  0.123952  0.882825  0.449044  1
  Fe  Fe57  1  0.273527  0.801742  0.465732  1
  Fe  Fe58  1  0.474415  0.463903  0.432373  1
  Fe  Fe59  1  0.790612  0.882858  0.449025  1
  Fe  Fe60  1  0.940184  0.801769  0.465706  1
  Fe  Fe61  1  0.141122  0.463918  0.432372  1
  Fe  Fe62  1  0.290636  0.382832  0.449055  1
  Fe  Fe63  1  0.440182  0.301746  0.465738  1
  Fe  Fe64  1  0.606880  0.801724  0.465720  1
  Fe  Fe65  1  0.756391  0.720708  0.482392  1
  Fe  Fe66  1  0.957279  0.382856  0.449008  1
  Fe  Fe67  1  0.106873  0.301770  0.465735  1
  Fe  Fe68  1  0.307776  0.963894  0.432367  1
  Fe  Fe69  1  0.623946  0.382833  0.449034  1
  Fe  Fe70  1  0.773536  0.301772  0.465704  1
  Fe  Fe71  1  0.974441  0.963930  0.432393  1
  Fe  Fe72  1  0.641123  0.963866  0.432348  1
  Fe  Fe73  1  0.405937  0.139620  0.499105  1
  Fe  Fe74  1  0.072625  0.139661  0.499104  1
  Fe  Fe75  1  0.222172  0.058591  0.515803  1
  Fe  Fe76  1  0.423072  0.720673  0.482424  1
  Fe  Fe77  1  0.739275  0.139648  0.499088  1
  Fe  Fe78  1  0.888842  0.058586  0.515780  1
  Fe  Fe79  1  0.089720  0.720692  0.482385  1
  Fe  Fe80  1  0.239293  0.639635  0.499103  1
  Fe  Fe81  1  0.388856  0.558568  0.515821  1
  Fe  Fe82  1  0.555480  0.058563  0.515789  1
  Fe  Fe83  1  0.705024  0.977523  0.532460  1
  Fe  Fe84  1  0.905930  0.639657  0.499080  1
  Fe  Fe85  1  0.055490  0.558588  0.515781  1
  Fe  Fe86  1  0.256407  0.220702  0.482420  1
  Fe  Fe87  1  0.572618  0.639624  0.499116  1
  Fe  Fe88  1  0.722150  0.558593  0.515797  1
  Fe  Fe89  1  0.923066  0.220723  0.482390  1
  Fe  Fe90  1  0.589708  0.220696  0.482406  1
  Fe  Fe91  1  0.354641  0.396435  0.549200  1
  Fe  Fe92  1  0.021239  0.396472  0.549167  1
  Fe  Fe93  1  0.170806  0.315378  0.565861  1
  Fe  Fe94  1  0.371689  0.977500  0.532482  1
  Fe  Fe95  1  0.687944  0.396452  0.549155  1
  Fe  Fe96  1  0.837428  0.315401  0.565830  1
  Fe  Fe97  1  0.038382  0.977521  0.532467  1
  Fe  Fe98  1  0.187945  0.896444  0.549166  1
  Fe  Fe99  1  0.337467  0.815353  0.565871  1
  Fe  Fe100  1  0.504121  0.315370  0.565848  1
  Fe  Fe101  1  0.653772  0.234291  0.582518  1
  Fe  Fe102  1  0.854626  0.896423  0.549133  1
  Fe  Fe103  1  0.004159  0.815321  0.565809  1
  Fe  Fe104  1  0.205060  0.477523  0.532487  1
  Fe  Fe105  1  0.521245  0.896429  0.549177  1
  Fe  Fe106  1  0.670746  0.815416  0.565852  1
  Fe  Fe107  1  0.871661  0.477556  0.532473  1
  Fe  Fe108  1  0.538376  0.477512  0.532490  1
  Fe  Fe109  1  0.303261  0.653253  0.599288  1
  Fe  Fe110  1  0.969970  0.653126  0.599211  1
  Fe  Fe111  1  0.119596  0.572012  0.615974  1
  Fe  Fe112  1  0.320439  0.234280  0.582605  1
  Fe  Fe113  1  0.636460  0.653424  0.599357  1
  Fe  Fe114  1  0.786066  0.572324  0.616051  1
  Fe  Fe115  1  0.987005  0.234301  0.582548  1
  Fe  Fe116  1  0.136538  0.153248  0.599256  1
  Fe  Fe117  1  0.286217  0.072153  0.616005  1
  Fe  Fe118  1  0.452995  0.572216  0.616085  1
  Fe  Fe119  1  0.602140  0.491470  0.632635  1
  Fe  Fe120  1  0.803265  0.153258  0.599229  1
  Fe  Fe121  1  0.952810  0.072142  0.615986  1
  Fe  Fe122  1  0.153741  0.734244  0.582539  1
  Fe  Fe123  1  0.469839  0.153293  0.599247  1
  Fe  Fe124  1  0.619640  0.072209  0.615896  1
  Fe  Fe125  1  0.820386  0.734270  0.582527  1
  Fe  Fe126  1  0.487085  0.734276  0.582647  1
  Fe  Fe127  1  0.252001  0.909783  0.649216  1
  Fe  Fe128  1  0.918720  0.910011  0.649233  1
  Fe  Fe129  1  0.067734  0.828733  0.665841  1
  Fe  Fe130  1  0.268814  0.491220  0.632608  1
  Fe  Fe131  1  0.585429  0.910242  0.649120  1
  Fe  Fe132  1  0.735215  0.828663  0.665706  1
  Fe  Fe133  1  0.935471  0.491203  0.632573  1
  Fe  Fe134  1  0.085481  0.409776  0.649228  1
  Fe  Fe135  1  0.234541  0.328571  0.665908  1
  Fe  Fe136  1  0.400913  0.828925  0.665960  1
  Fe  Fe137  1  0.550724  0.749835  0.682776  1
  Fe  Fe138  1  0.751974  0.410313  0.649294  1
  Fe  Fe139  1  0.901133  0.328938  0.665868  1
  Fe  Fe140  1  0.102034  0.991206  0.632556  1
  Fe  Fe141  1  0.418929  0.409870  0.649328  1
  Fe  Fe142  1  0.567918  0.329266  0.665849  1
  Fe  Fe143  1  0.769045  0.991253  0.632517  1
  Fe  Fe144  1  0.435346  0.991363  0.632580  1
  Fe  Fe145  1  0.199326  0.166812  0.699620  1
  Fe  Fe146  1  0.866407  0.166998  0.699644  1
  Fe  Fe147  1  0.018945  0.086549  0.716336  1
  Fe  Fe148  1  0.217610  0.747763  0.682109  1
  Fe  Fe149  1  0.533556  0.167217  0.699202  1
  Fe  Fe150  1  0.683988  0.085949  0.716422  1
  Fe  Fe151  1  0.884644  0.748175  0.682078  1
  Fe  Fe152  1  0.033013  0.666835  0.699611  1
  Fe  Fe153  1  0.185627  0.586470  0.716318  1
  Fe  Fe154  1  0.351206  0.086471  0.716274  1
  Fe  Fe155  1  0.504116  0.997535  0.732212  1
  Fe  Fe156  1  0.700179  0.666641  0.699708  1
  Fe  Fe157  1  0.852609  0.586453  0.716336  1
  Fe  Fe158  1  0.051017  0.248119  0.682130  1
  Fe  Fe159  1  0.365932  0.666373  0.699664  1
  Fe  Fe160  1  0.518693  0.586337  0.716503  1
  Fe  Fe161  1  0.717644  0.248400  0.682222  1
  Fe  Fe162  1  0.385077  0.246792  0.682529  1
  Ni  Ni163  1  0.527740  0.361517  0.298898  1
  Ni  Ni164  1  0.194417  0.361848  0.298941  1
  Ni  Ni165  1  0.344167  0.281929  0.315849  1
  Ni  Ni166  1  0.544516  0.942197  0.283156  1
  Ni  Ni167  1  0.860908  0.361826  0.298872  1
  Ni  Ni168  1  0.010782  0.282267  0.315855  1
  Ni  Ni169  1  0.211083  0.942482  0.283171  1
  Ni  Ni170  1  0.360998  0.861703  0.298909  1
  Ni  Ni171  1  0.510663  0.781941  0.315873  1
  Ni  Ni172  1  0.677480  0.281514  0.315844  1
  Ni  Ni173  1  0.878638  0.942076  0.283602  1
  Ni  Ni174  1  0.027610  0.862729  0.299189  1
  Ni  Ni175  1  0.177330  0.782033  0.315835  1
  Ni  Ni176  1  0.377821  0.442352  0.283153  1
  Ni  Ni177  1  0.694523  0.861336  0.298879  1
  Ni  Ni178  1  0.844636  0.781452  0.315549  1
  Ni  Ni179  1  0.045131  0.441716  0.283457  1
  Ni  Ni180  1  0.710878  0.441485  0.283096  1
  Ni  Ni181  1  0.476287  0.619400  0.348888  1
  Ni  Ni182  1  0.142868  0.619463  0.348794  1
  Ni  Ni183  1  0.292890  0.538226  0.365543  1
  Ni  Ni184  1  0.494100  0.200181  0.331837  1
  Ni  Ni185  1  0.809809  0.619447  0.348736  1
  Ni  Ni186  1  0.959647  0.538268  0.365374  1
  Ni  Ni187  1  0.160855  0.200110  0.331854  1
  Ni  Ni188  1  0.309734  0.119357  0.348878  1
  Ni  Ni189  1  0.459636  0.038131  0.365547  1
  Ni  Ni190  1  0.626158  0.538222  0.365583  1
  Ni  Ni191  1  0.827299  0.200515  0.331861  1
  Ni  Ni192  1  0.976388  0.119744  0.348920  1
  Ni  Ni193  1  0.126295  0.038179  0.365579  1
  Ni  Ni194  1  0.327354  0.700270  0.331838  1
  Ni  Ni195  1  0.643040  0.119251  0.348867  1
  Ni  Ni196  1  0.792757  0.038426  0.365612  1
  Ni  Ni197  1  0.993988  0.700424  0.331600  1
  Ni  Ni198  1  0.660414  0.700431  0.331916  1
  Ni  Ni199  1  0.425350  0.875974  0.398972  1
  Ni  Ni200  1  0.092036  0.875997  0.398986  1
  Ni  Ni201  1  0.241526  0.794974  0.415682  1
  Ni  Ni202  1  0.442374  0.457143  0.382351  1
  Ni  Ni203  1  0.758740  0.875945  0.398933  1
  Ni  Ni204  1  0.908179  0.794974  0.415643  1
  Ni  Ni205  1  0.109113  0.457251  0.382398  1
  Ni  Ni206  1  0.258748  0.375999  0.398984  1
  Ni  Ni207  1  0.408216  0.294936  0.415689  1
  Ni  Ni208  1  0.574913  0.794898  0.415669  1
  Ni  Ni209  1  0.775753  0.457214  0.382297  1
  Ni  Ni210  1  0.925398  0.376049  0.398901  1
  Ni  Ni211  1  0.074888  0.294997  0.415695  1
  Ni  Ni212  1  0.275728  0.957159  0.382353  1
  Ni  Ni213  1  0.591981  0.375987  0.398975  1
  Ni  Ni214  1  0.741527  0.295005  0.415663  1
  Ni  Ni215  1  0.942387  0.957360  0.382443  1
  Ni  Ni216  1  0.609171  0.957004  0.382313  1
  Ni  Ni217  1  0.373969  0.132802  0.449033  1
  Ni  Ni218  1  0.040631  0.132858  0.449040  1
  Ni  Ni219  1  0.190191  0.051774  0.465725  1
  Ni  Ni220  1  0.391070  0.713870  0.432330  1
  Ni  Ni221  1  0.707254  0.132876  0.449033  1
  Ni  Ni222  1  0.856840  0.051815  0.465716  1
  Ni  Ni223  1  0.057718  0.713845  0.432277  1
  Ni  Ni224  1  0.207269  0.632836  0.449021  1
  Ni  Ni225  1  0.356838  0.551769  0.465731  1
  Ni  Ni226  1  0.523509  0.051732  0.465716  1
  Ni  Ni227  1  0.724469  0.713835  0.432287  1
  Ni  Ni228  1  0.873951  0.632844  0.448991  1
  Ni  Ni229  1  0.023495  0.551771  0.465687  1
  Ni  Ni230  1  0.224441  0.213884  0.432328  1
  Ni  Ni231  1  0.540626  0.632817  0.449037  1
  Ni  Ni232  1  0.690197  0.551767  0.465706  1
  Ni  Ni233  1  0.891097  0.213916  0.432295  1
  Ni  Ni234  1  0.557720  0.213865  0.432327  1
  Ni  Ni235  1  0.322619  0.389643  0.499123  1
  Ni  Ni236  1  0.989269  0.389669  0.499090  1
  Ni  Ni237  1  0.138831  0.308599  0.515800  1
  Ni  Ni238  1  0.339736  0.970684  0.482420  1
  Ni  Ni239  1  0.655952  0.389637  0.499091  1
  Ni  Ni240  1  0.805505  0.308581  0.515766  1
  Ni  Ni241  1  0.006406  0.970727  0.482420  1
  Ni  Ni242  1  0.155963  0.889636  0.499102  1
  Ni  Ni243  1  0.305516  0.808551  0.515800  1
  Ni  Ni244  1  0.472161  0.308554  0.515795  1
  Ni  Ni245  1  0.673048  0.970705  0.482410  1
  Ni  Ni246  1  0.822607  0.889645  0.499087  1
  Ni  Ni247  1  0.972176  0.808553  0.515767  1
  Ni  Ni248  1  0.173061  0.470726  0.482423  1
  Ni  Ni249  1  0.489279  0.889602  0.499108  1
  Ni  Ni250  1  0.638816  0.808562  0.515792  1
  Ni  Ni251  1  0.839728  0.470735  0.482395  1
  Ni  Ni252  1  0.506393  0.470699  0.482424  1
  Ni  Ni253  1  0.271305  0.646430  0.549186  1
  Ni  Ni254  1  0.937931  0.646425  0.549153  1
  Ni  Ni255  1  0.087509  0.565352  0.565867  1
  Ni  Ni256  1  0.288385  0.227524  0.532508  1
  Ni  Ni257  1  0.604592  0.646479  0.549208  1
  Ni  Ni258  1  0.754074  0.565492  0.565906  1
  Ni  Ni259  1  0.955042  0.227533  0.532472  1
  Ni  Ni260  1  0.104595  0.146471  0.549175  1
  Ni  Ni261  1  0.254132  0.065417  0.565892  1
  Ni  Ni262  1  0.420838  0.565397  0.565933  1
  Ni  Ni263  1  0.621713  0.227502  0.532471  1
  Ni  Ni264  1  0.771295  0.146436  0.549143  1
  Ni  Ni265  1  0.920821  0.065394  0.565858  1
  Ni  Ni266  1  0.121740  0.727483  0.532469  1
  Ni  Ni267  1  0.437920  0.146419  0.549172  1
  Ni  Ni268  1  0.587453  0.065394  0.565859  1
  Ni  Ni269  1  0.788353  0.727521  0.532476  1
  Ni  Ni270  1  0.455060  0.727495  0.532525  1
  Ni  Ni271  1  0.219847  0.903258  0.599237  1
  Ni  Ni272  1  0.886607  0.903188  0.599183  1
  Ni  Ni273  1  0.036131  0.822021  0.615830  1
  Ni  Ni274  1  0.237069  0.484289  0.582539  1
  Ni  Ni275  1  0.553120  0.903305  0.599242  1
  Ni  Ni276  1  0.702840  0.822150  0.615847  1
  Ni  Ni277  1  0.903612  0.484352  0.582531  1
  Ni  Ni278  1  0.053191  0.403218  0.599235  1
  Ni  Ni279  1  0.202875  0.322028  0.615887  1
  Ni  Ni280  1  0.369503  0.822066  0.615914  1
  Ni  Ni281  1  0.570380  0.484341  0.582542  1
  Ni  Ni282  1  0.719841  0.403398  0.599240  1
  Ni  Ni283  1  0.869387  0.322182  0.615869  1
  Ni  Ni284  1  0.070332  0.984301  0.582510  1
  Ni  Ni285  1  0.386564  0.403290  0.599305  1
  Ni  Ni286  1  0.536217  0.322156  0.615849  1
  Ni  Ni287  1  0.737075  0.984277  0.582482  1
  Ni  Ni288  1  0.403652  0.984281  0.582528  1
  Ni  Ni289  1  0.168793  0.159668  0.649307  1
  Ni  Ni290  1  0.835443  0.159975  0.649347  1
  Ni  Ni291  1  0.984396  0.078929  0.666337  1
  Ni  Ni292  1  0.185588  0.740902  0.632627  1
  Ni  Ni293  1  0.502268  0.159863  0.649230  1
  Ni  Ni294  1  0.651533  0.079207  0.666113  1
  Ni  Ni295  1  0.852517  0.740828  0.632561  1
  Ni  Ni296  1  0.002311  0.659620  0.649276  1
  Ni  Ni297  1  0.151183  0.578627  0.666333  1
  Ni  Ni298  1  0.317619  0.078822  0.666343  1
  Ni  Ni299  1  0.518946  0.741344  0.632880  1
  Ni  Ni300  1  0.668611  0.660405  0.649501  1
  Ni  Ni301  1  0.817910  0.578938  0.666356  1
  Ni  Ni302  1  0.018895  0.240977  0.632633  1
  Ni  Ni303  1  0.335555  0.659596  0.649360  1
  Ni  Ni304  1  0.484529  0.579410  0.666496  1
  Ni  Ni305  1  0.685723  0.241248  0.632604  1
  Ni  Ni306  1  0.352351  0.241097  0.632786  1
  Ni  Ni307  1  0.117443  0.417447  0.699290  1
  Ni  Ni308  1  0.784251  0.417484  0.699326  1
  Ni  Ni309  1  0.934183  0.336779  0.715052  1
  Ni  Ni310  1  0.134196  0.997123  0.682294  1
  Ni  Ni311  1  0.450914  0.417356  0.699328  1
  Ni  Ni312  1  0.600746  0.336907  0.715078  1
  Ni  Ni313  1  0.800904  0.997686  0.682430  1
  Ni  Ni314  1  0.950779  0.917569  0.699295  1
  Ni  Ni315  1  0.100703  0.836742  0.715030  1
  Ni  Ni316  1  0.267202  0.336662  0.715094  1
  Ni  Ni317  1  0.467657  0.997246  0.682308  1
  Ni  Ni318  1  0.618882  0.916856  0.698740  1
  Ni  Ni319  1  0.768143  0.836621  0.715020  1
  Ni  Ni320  1  0.967828  0.497209  0.682320  1
  Ni  Ni321  1  0.283504  0.917268  0.699248  1
  Ni  Ni322  1  0.432931  0.836630  0.715374  1
  Ni  Ni323  1  0.634291  0.497932  0.682472  1
  Ni  Ni324  1  0.301185  0.496512  0.682355  1
