# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95335904
_cell_length_b   12.64577922
_cell_length_c   47.11899856
_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   5455.51788039
_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  0.476026  0.275096  0.295438  1
  Fe  Fe2  1  0.975433  0.274946  0.295449  1
  Fe  Fe3  1  0.340158  0.541757  0.328335  1
  Fe  Fe4  1  0.409431  0.906201  0.311240  1
  Fe  Fe5  1  0.840385  0.542146  0.328722  1
  Fe  Fe6  1  0.908858  0.906704  0.311268  1
  Fe  Fe7  1  0.442353  0.090146  0.303414  1
  Fe  Fe8  1  0.942435  0.090014  0.303389  1
  Fe  Fe9  1  0.507019  0.463565  0.288184  1
  Fe  Fe10  1  0.377495  0.719466  0.318774  1
  Fe  Fe11  1  0.004468  0.463639  0.288192  1
  Fe  Fe12  1  0.878061  0.719468  0.318779  1
  Fe  Fe13  1  0.223832  0.275242  0.295438  1
  Fe  Fe14  1  0.724611  0.274912  0.295454  1
  Fe  Fe15  1  0.093138  0.541786  0.328351  1
  Fe  Fe16  1  0.159338  0.906732  0.311263  1
  Fe  Fe17  1  0.592544  0.542140  0.328714  1
  Fe  Fe18  1  0.659264  0.906194  0.311242  1
  Fe  Fe19  1  0.272550  0.179878  0.343349  1
  Fe  Fe20  1  0.772944  0.179528  0.343351  1
  Fe  Fe21  1  0.136789  0.451447  0.375376  1
  Fe  Fe22  1  0.205363  0.815431  0.359056  1
  Fe  Fe23  1  0.636934  0.451580  0.375539  1
  Fe  Fe24  1  0.705323  0.814940  0.358910  1
  Fe  Fe25  1  0.238935  0.997637  0.351114  1
  Fe  Fe26  1  0.738649  0.997619  0.351118  1
  Fe  Fe27  1  0.307167  0.360789  0.335718  1
  Fe  Fe28  1  0.170612  0.634121  0.367546  1
  Fe  Fe29  1  0.806998  0.361115  0.335712  1
  Fe  Fe30  1  0.670504  0.634307  0.367630  1
  Fe  Fe31  1  0.022661  0.179540  0.343349  1
  Fe  Fe32  1  0.522720  0.179866  0.343351  1
  Fe  Fe33  1  0.886916  0.451574  0.375544  1
  Fe  Fe34  1  0.954518  0.815420  0.359060  1
  Fe  Fe35  1  0.387197  0.451447  0.375372  1
  Fe  Fe36  1  0.455040  0.814945  0.358909  1
  Fe  Fe37  1  0.068829  0.087649  0.390841  1
  Fe  Fe38  1  0.568687  0.087778  0.390831  1
  Fe  Fe39  1  0.932659  0.360415  0.422865  1
  Fe  Fe40  1  0.000515  0.724586  0.406948  1
  Fe  Fe41  1  0.432696  0.360451  0.422812  1
  Fe  Fe42  1  0.500396  0.724520  0.406912  1
  Fe  Fe43  1  0.034755  0.906073  0.398721  1
  Fe  Fe44  1  0.534830  0.905924  0.398642  1
  Fe  Fe45  1  0.102804  0.269713  0.383090  1
  Fe  Fe46  1  0.966570  0.542674  0.414930  1
  Fe  Fe47  1  0.602945  0.269714  0.383089  1
  Fe  Fe48  1  0.466454  0.542677  0.414924  1
  Fe  Fe49  1  0.819046  0.087645  0.390842  1
  Fe  Fe50  1  0.319059  0.087779  0.390830  1
  Fe  Fe51  1  0.682689  0.360417  0.422863  1
  Fe  Fe52  1  0.750699  0.724517  0.406914  1
  Fe  Fe53  1  0.182611  0.360448  0.422815  1
  Fe  Fe54  1  0.250520  0.724591  0.406945  1
  Fe  Fe55  1  0.864579  0.996685  0.438517  1
  Fe  Fe56  1  0.364648  0.996721  0.438500  1
  Fe  Fe57  1  0.728383  0.269276  0.470387  1
  Fe  Fe58  1  0.796408  0.633290  0.454560  1
  Fe  Fe59  1  0.228361  0.269295  0.470369  1
  Fe  Fe60  1  0.296351  0.633251  0.454540  1
  Fe  Fe61  1  0.830383  0.815135  0.446533  1
  Fe  Fe62  1  0.330381  0.815150  0.446532  1
  Fe  Fe63  1  0.898710  0.178394  0.430669  1
  Fe  Fe64  1  0.762428  0.451196  0.462521  1
  Fe  Fe65  1  0.398644  0.178530  0.430640  1
  Fe  Fe66  1  0.262422  0.451188  0.462477  1
  Fe  Fe67  1  0.614501  0.996719  0.438500  1
  Fe  Fe68  1  0.114594  0.996688  0.438518  1
  Fe  Fe69  1  0.478434  0.269306  0.470370  1
  Fe  Fe70  1  0.546266  0.633294  0.454556  1
  Fe  Fe71  1  0.978458  0.269264  0.470386  1
  Fe  Fe72  1  0.046381  0.633247  0.454544  1
  Fe  Fe73  1  0.660226  0.905735  0.486199  1
  Fe  Fe74  1  0.160237  0.905749  0.486219  1
  Fe  Fe75  1  0.524052  0.178367  0.518038  1
  Fe  Fe76  1  0.592202  0.541884  0.502105  1
  Fe  Fe77  1  0.024068  0.178309  0.518037  1
  Fe  Fe78  1  0.092214  0.541883  0.502106  1
  Fe  Fe79  1  0.626177  0.723884  0.494149  1
  Fe  Fe80  1  0.126204  0.723866  0.494156  1
  Fe  Fe81  1  0.694311  0.087506  0.478269  1
  Fe  Fe82  1  0.558188  0.360013  0.510089  1
  Fe  Fe83  1  0.194342  0.087485  0.478271  1
  Fe  Fe84  1  0.058184  0.360018  0.510091  1
  Fe  Fe85  1  0.410231  0.905747  0.486204  1
  Fe  Fe86  1  0.910208  0.905738  0.486215  1
  Fe  Fe87  1  0.274049  0.178325  0.518030  1
  Fe  Fe88  1  0.342227  0.541876  0.502094  1
  Fe  Fe89  1  0.774017  0.178351  0.518045  1
  Fe  Fe90  1  0.842245  0.541890  0.502116  1
  Fe  Fe91  1  0.456015  0.814564  0.533794  1
  Fe  Fe92  1  0.956047  0.814540  0.533790  1
  Fe  Fe93  1  0.319746  0.087341  0.565675  1
  Fe  Fe94  1  0.387947  0.450600  0.549726  1
  Fe  Fe95  1  0.819653  0.087392  0.565680  1
  Fe  Fe96  1  0.888017  0.450654  0.549757  1
  Fe  Fe97  1  0.422064  0.632474  0.541688  1
  Fe  Fe98  1  0.922084  0.632457  0.541718  1
  Fe  Fe99  1  0.489980  0.996553  0.525910  1
  Fe  Fe100  1  0.353780  0.269111  0.557796  1
  Fe  Fe101  1  0.989949  0.996544  0.525922  1
  Fe  Fe102  1  0.853830  0.269099  0.557804  1
  Fe  Fe103  1  0.205959  0.814562  0.533800  1
  Fe  Fe104  1  0.705952  0.814542  0.533784  1
  Fe  Fe105  1  0.069688  0.087334  0.565679  1
  Fe  Fe106  1  0.138007  0.450649  0.549752  1
  Fe  Fe107  1  0.569714  0.087397  0.565675  1
  Fe  Fe108  1  0.638127  0.450601  0.549732  1
  Fe  Fe109  1  0.251883  0.723154  0.581253  1
  Fe  Fe110  1  0.751796  0.723107  0.581247  1
  Fe  Fe111  1  0.115539  0.996221  0.613263  1
  Fe  Fe112  1  0.183545  0.359753  0.597582  1
  Fe  Fe113  1  0.615548  0.996283  0.613234  1
  Fe  Fe114  1  0.683813  0.359807  0.597605  1
  Fe  Fe115  1  0.217954  0.540965  0.589384  1
  Fe  Fe116  1  0.718035  0.540968  0.589388  1
  Fe  Fe117  1  0.285677  0.905470  0.573453  1
  Fe  Fe118  1  0.149660  0.177740  0.605489  1
  Fe  Fe119  1  0.785658  0.905505  0.573391  1
  Fe  Fe120  1  0.649534  0.177990  0.605561  1
  Fe  Fe121  1  0.001995  0.723105  0.581247  1
  Fe  Fe122  1  0.501847  0.723158  0.581252  1
  Fe  Fe123  1  0.865287  0.996282  0.613237  1
  Fe  Fe124  1  0.933687  0.359756  0.597585  1
  Fe  Fe125  1  0.365354  0.996228  0.613259  1
  Fe  Fe126  1  0.433368  0.359812  0.597602  1
  Fe  Fe127  1  0.047945  0.632045  0.628780  1
  Fe  Fe128  1  0.547633  0.631776  0.628655  1
  Fe  Fe129  1  0.912021  0.903813  0.660548  1
  Fe  Fe130  1  0.979674  0.268146  0.645186  1
  Fe  Fe131  1  0.411449  0.904152  0.660630  1
  Fe  Fe132  1  0.479634  0.268536  0.645317  1
  Fe  Fe133  1  0.013044  0.451162  0.637348  1
  Fe  Fe134  1  0.513423  0.450429  0.637136  1
  Fe  Fe135  1  0.081561  0.814126  0.620807  1
  Fe  Fe136  1  0.945671  0.085862  0.653087  1
  Fe  Fe137  1  0.581482  0.814131  0.620804  1
  Fe  Fe138  1  0.445902  0.085875  0.653081  1
  Fe  Fe139  1  0.797240  0.632047  0.628783  1
  Fe  Fe140  1  0.297829  0.631775  0.628652  1
  Fe  Fe141  1  0.661661  0.903815  0.660547  1
  Fe  Fe142  1  0.729191  0.268530  0.645321  1
  Fe  Fe143  1  0.161899  0.904137  0.660634  1
  Fe  Fe144  1  0.229542  0.268144  0.645182  1
  Fe  Fe145  1  0.841643  0.544632  0.677502  1
  Fe  Fe146  1  0.341696  0.542942  0.676663  1
  Fe  Fe147  1  0.711164  0.803453  0.708224  1
  Fe  Fe148  1  0.775513  0.175709  0.693042  1
  Fe  Fe149  1  0.209855  0.805551  0.708489  1
  Fe  Fe150  1  0.276150  0.175280  0.693011  1
  Fe  Fe151  1  0.809159  0.359992  0.684984  1
  Fe  Fe152  1  0.308523  0.359978  0.684979  1
  Fe  Fe153  1  0.876642  0.724192  0.667312  1
  Fe  Fe154  1  0.743565  0.990596  0.700659  1
  Fe  Fe155  1  0.377289  0.722901  0.667948  1
  Fe  Fe156  1  0.243067  0.991568  0.700735  1
  Fe  Fe157  1  0.592857  0.542974  0.676678  1
  Fe  Fe158  1  0.091247  0.544618  0.677498  1
  Fe  Fe159  1  0.462084  0.805643  0.708477  1
  Fe  Fe160  1  0.526508  0.175724  0.693036  1
  Fe  Fe161  1  0.962913  0.803384  0.708218  1
  Fe  Fe162  1  0.026295  0.175267  0.693014  1
  Ni  Ni163  1  0.192195  0.091072  0.303834  1
  Ni  Ni164  1  0.691655  0.091016  0.303838  1
  Ni  Ni165  1  0.055799  0.361265  0.335481  1
  Ni  Ni166  1  0.125204  0.724615  0.319966  1
  Ni  Ni167  1  0.758703  0.457682  0.288897  1
  Ni  Ni168  1  0.626178  0.722660  0.319595  1
  Ni  Ni169  1  0.989038  0.997140  0.350830  1
  Ni  Ni170  1  0.488985  0.997242  0.350803  1
  Ni  Ni171  1  0.852933  0.269595  0.383169  1
  Ni  Ni172  1  0.921151  0.633961  0.367292  1
  Ni  Ni173  1  0.558067  0.361249  0.335478  1
  Ni  Ni174  1  0.420222  0.633962  0.367285  1
  Ni  Ni175  1  0.784642  0.906037  0.398765  1
  Ni  Ni176  1  0.284897  0.906045  0.398763  1
  Ni  Ni177  1  0.648686  0.178445  0.430625  1
  Ni  Ni178  1  0.716553  0.542590  0.415054  1
  Ni  Ni179  1  0.352824  0.269814  0.383093  1
  Ni  Ni180  1  0.216611  0.542479  0.414956  1
  Ni  Ni181  1  0.580395  0.815113  0.446501  1
  Ni  Ni182  1  0.080387  0.815143  0.446541  1
  Ni  Ni183  1  0.444324  0.087522  0.478273  1
  Ni  Ni184  1  0.512391  0.451245  0.462471  1
  Ni  Ni185  1  0.148687  0.178438  0.430625  1
  Ni  Ni186  1  0.012404  0.451248  0.462478  1
  Ni  Ni187  1  0.376163  0.723894  0.494157  1
  Ni  Ni188  1  0.876211  0.723871  0.494162  1
  Ni  Ni189  1  0.239981  0.996535  0.525919  1
  Ni  Ni190  1  0.308157  0.360018  0.510071  1
  Ni  Ni191  1  0.944324  0.087479  0.478288  1
  Ni  Ni192  1  0.808219  0.360005  0.510088  1
  Ni  Ni193  1  0.172116  0.632423  0.541713  1
  Ni  Ni194  1  0.672067  0.632434  0.541715  1
  Ni  Ni195  1  0.035670  0.905451  0.573471  1
  Ni  Ni196  1  0.103832  0.269051  0.557804  1
  Ni  Ni197  1  0.739952  0.996559  0.525903  1
  Ni  Ni198  1  0.603792  0.269130  0.557835  1
  Ni  Ni199  1  0.967865  0.541226  0.589367  1
  Ni  Ni200  1  0.467940  0.541074  0.589251  1
  Ni  Ni201  1  0.831457  0.814263  0.620664  1
  Ni  Ni202  1  0.899482  0.177959  0.605474  1
  Ni  Ni203  1  0.535701  0.905455  0.573464  1
  Ni  Ni204  1  0.399617  0.177965  0.605468  1
  Ni  Ni205  1  0.764020  0.450667  0.637489  1
  Ni  Ni206  1  0.262571  0.450666  0.637483  1
  Ni  Ni207  1  0.625697  0.723197  0.668050  1
  Ni  Ni208  1  0.695698  0.086039  0.653345  1
  Ni  Ni209  1  0.331538  0.814102  0.620812  1
  Ni  Ni210  1  0.195619  0.086194  0.653320  1
  Ni  Ni211  1  0.558270  0.361121  0.684878  1
  Ni  Ni212  1  0.059193  0.359277  0.684526  1
  Ni  Ni213  1  0.425199  0.627049  0.715247  1
  Ni  Ni214  1  0.494306  0.990300  0.700288  1
  Ni  Ni215  1  0.128586  0.723179  0.668049  1
  Ni  Ni216  1  0.993129  0.990250  0.700294  1
