# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.03136891
_cell_length_b   12.75725248
_cell_length_c   47.58587805
_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   5601.70335603
_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  0.472127  0.283820  0.293128  1
  Fe  Fe2  1  0.974195  0.283376  0.292859  1
  Fe  Fe3  1  0.406541  0.916495  0.308181  1
  Fe  Fe4  1  0.338841  0.549189  0.323556  1
  Fe  Fe5  1  0.906331  0.916657  0.308187  1
  Fe  Fe6  1  0.840224  0.549984  0.323719  1
  Fe  Fe7  1  0.439190  0.099772  0.300501  1
  Fe  Fe8  1  0.939347  0.099465  0.300470  1
  Fe  Fe9  1  0.372537  0.732700  0.316042  1
  Fe  Fe10  1  0.305191  0.367981  0.332849  1
  Fe  Fe11  1  0.872940  0.732702  0.316045  1
  Fe  Fe12  1  0.805042  0.368264  0.332535  1
  Fe  Fe13  1  0.222288  0.283900  0.293129  1
  Fe  Fe14  1  0.720681  0.283362  0.292863  1
  Fe  Fe15  1  0.155132  0.916680  0.308186  1
  Fe  Fe16  1  0.090191  0.549223  0.323561  1
  Fe  Fe17  1  0.655078  0.916499  0.308182  1
  Fe  Fe18  1  0.588076  0.549976  0.323700  1
  Fe  Fe19  1  0.769432  0.187730  0.339344  1
  Fe  Fe20  1  0.269425  0.187818  0.339399  1
  Fe  Fe21  1  0.701949  0.823050  0.354785  1
  Fe  Fe22  1  0.634355  0.460291  0.371554  1
  Fe  Fe23  1  0.201888  0.823214  0.354828  1
  Fe  Fe24  1  0.134327  0.460242  0.371537  1
  Fe  Fe25  1  0.735872  0.006465  0.346977  1
  Fe  Fe26  1  0.235945  0.006473  0.346977  1
  Fe  Fe27  1  0.668321  0.641729  0.362722  1
  Fe  Fe28  1  0.600246  0.277978  0.379471  1
  Fe  Fe29  1  0.168436  0.641522  0.362677  1
  Fe  Fe30  1  0.100238  0.277975  0.379473  1
  Fe  Fe31  1  0.521057  0.187818  0.339401  1
  Fe  Fe32  1  0.021135  0.187738  0.339345  1
  Fe  Fe33  1  0.453348  0.823042  0.354786  1
  Fe  Fe34  1  0.383894  0.460228  0.371540  1
  Fe  Fe35  1  0.953255  0.823212  0.354831  1
  Fe  Fe36  1  0.883822  0.460279  0.371559  1
  Fe  Fe37  1  0.066657  0.096149  0.387251  1
  Fe  Fe38  1  0.566679  0.096057  0.387267  1
  Fe  Fe39  1  0.998227  0.732656  0.402849  1
  Fe  Fe40  1  0.929672  0.368982  0.419073  1
  Fe  Fe41  1  0.498127  0.732604  0.402834  1
  Fe  Fe42  1  0.429720  0.369029  0.419098  1
  Fe  Fe43  1  0.032292  0.913951  0.395027  1
  Fe  Fe44  1  0.532348  0.913833  0.395008  1
  Fe  Fe45  1  0.963791  0.551016  0.411066  1
  Fe  Fe46  1  0.895978  0.186683  0.427012  1
  Fe  Fe47  1  0.463780  0.551019  0.411064  1
  Fe  Fe48  1  0.396013  0.186611  0.427070  1
  Fe  Fe49  1  0.815676  0.096154  0.387250  1
  Fe  Fe50  1  0.315743  0.096062  0.387268  1
  Fe  Fe51  1  0.747792  0.732618  0.402834  1
  Fe  Fe52  1  0.679951  0.368987  0.419071  1
  Fe  Fe53  1  0.247664  0.732660  0.402845  1
  Fe  Fe54  1  0.179863  0.369029  0.419098  1
  Fe  Fe55  1  0.361733  0.004723  0.434726  1
  Fe  Fe56  1  0.861712  0.004749  0.434718  1
  Fe  Fe57  1  0.293667  0.641500  0.450710  1
  Fe  Fe58  1  0.225585  0.277659  0.466715  1
  Fe  Fe59  1  0.793679  0.641509  0.450712  1
  Fe  Fe60  1  0.725599  0.277668  0.466701  1
  Fe  Fe61  1  0.327746  0.823196  0.442595  1
  Fe  Fe62  1  0.827745  0.823203  0.442591  1
  Fe  Fe63  1  0.259505  0.459753  0.458711  1
  Fe  Fe64  1  0.191610  0.095605  0.474636  1
  Fe  Fe65  1  0.759506  0.459743  0.458711  1
  Fe  Fe66  1  0.691603  0.095612  0.474629  1
  Fe  Fe67  1  0.112219  0.004744  0.434720  1
  Fe  Fe68  1  0.612208  0.004724  0.434725  1
  Fe  Fe69  1  0.043572  0.641495  0.450708  1
  Fe  Fe70  1  0.975522  0.277667  0.466704  1
  Fe  Fe71  1  0.543541  0.641507  0.450716  1
  Fe  Fe72  1  0.475547  0.277659  0.466712  1
  Fe  Fe73  1  0.657552  0.913940  0.482502  1
  Fe  Fe74  1  0.157552  0.913960  0.482508  1
  Fe  Fe75  1  0.589345  0.550310  0.498425  1
  Fe  Fe76  1  0.521137  0.186464  0.514353  1
  Fe  Fe77  1  0.089357  0.550309  0.498419  1
  Fe  Fe78  1  0.021142  0.186457  0.514352  1
  Fe  Fe79  1  0.623341  0.732193  0.490432  1
  Fe  Fe80  1  0.123346  0.732192  0.490434  1
  Fe  Fe81  1  0.555298  0.368348  0.506386  1
  Fe  Fe82  1  0.487073  0.004841  0.522278  1
  Fe  Fe83  1  0.055300  0.368334  0.506388  1
  Fe  Fe84  1  0.987069  0.004863  0.522270  1
  Fe  Fe85  1  0.407355  0.913933  0.482506  1
  Fe  Fe86  1  0.907332  0.913970  0.482503  1
  Fe  Fe87  1  0.339262  0.550304  0.498424  1
  Fe  Fe88  1  0.271369  0.186459  0.514359  1
  Fe  Fe89  1  0.839236  0.550314  0.498420  1
  Fe  Fe90  1  0.771370  0.186460  0.514346  1
  Fe  Fe91  1  0.952990  0.822928  0.530173  1
  Fe  Fe92  1  0.452982  0.822905  0.530184  1
  Fe  Fe93  1  0.884963  0.458990  0.546038  1
  Fe  Fe94  1  0.816883  0.095732  0.562191  1
  Fe  Fe95  1  0.384990  0.459015  0.546055  1
  Fe  Fe96  1  0.316858  0.095715  0.562203  1
  Fe  Fe97  1  0.919038  0.640984  0.538087  1
  Fe  Fe98  1  0.419036  0.640985  0.538116  1
  Fe  Fe99  1  0.851038  0.277046  0.554213  1
  Fe  Fe100  1  0.782707  0.913766  0.570026  1
  Fe  Fe101  1  0.351044  0.277048  0.554217  1
  Fe  Fe102  1  0.282746  0.913690  0.570048  1
  Fe  Fe103  1  0.703117  0.822922  0.530174  1
  Fe  Fe104  1  0.203137  0.822907  0.530184  1
  Fe  Fe105  1  0.635085  0.459018  0.546053  1
  Fe  Fe106  1  0.566522  0.095737  0.562192  1
  Fe  Fe107  1  0.135133  0.458992  0.546038  1
  Fe  Fe108  1  0.066562  0.095724  0.562199  1
  Fe  Fe109  1  0.248953  0.731851  0.577875  1
  Fe  Fe110  1  0.748981  0.731901  0.577839  1
  Fe  Fe111  1  0.180719  0.367620  0.593794  1
  Fe  Fe112  1  0.112230  0.004329  0.609744  1
  Fe  Fe113  1  0.680635  0.367605  0.593797  1
  Fe  Fe114  1  0.612174  0.004384  0.609729  1
  Fe  Fe115  1  0.214860  0.549566  0.585634  1
  Fe  Fe116  1  0.714813  0.549567  0.585632  1
  Fe  Fe117  1  0.146225  0.186817  0.601907  1
  Fe  Fe118  1  0.078094  0.823161  0.617432  1
  Fe  Fe119  1  0.646225  0.186815  0.601880  1
  Fe  Fe120  1  0.578079  0.823160  0.617434  1
  Fe  Fe121  1  0.998324  0.731903  0.577838  1
  Fe  Fe122  1  0.498402  0.731850  0.577875  1
  Fe  Fe123  1  0.930944  0.367610  0.593794  1
  Fe  Fe124  1  0.862784  0.004371  0.609730  1
  Fe  Fe125  1  0.431043  0.367592  0.593801  1
  Fe  Fe126  1  0.362790  0.004307  0.609748  1
  Fe  Fe127  1  0.544095  0.640490  0.625190  1
  Fe  Fe128  1  0.044232  0.640536  0.625078  1
  Fe  Fe129  1  0.475833  0.277620  0.642153  1
  Fe  Fe130  1  0.408573  0.913153  0.657751  1
  Fe  Fe131  1  0.975875  0.277648  0.642188  1
  Fe  Fe132  1  0.908579  0.913406  0.657723  1
  Fe  Fe133  1  0.510986  0.457443  0.633638  1
  Fe  Fe134  1  0.011121  0.457189  0.633538  1
  Fe  Fe135  1  0.442622  0.094161  0.649956  1
  Fe  Fe136  1  0.374481  0.730609  0.665407  1
  Fe  Fe137  1  0.942714  0.094182  0.649954  1
  Fe  Fe138  1  0.874258  0.731061  0.665315  1
  Fe  Fe139  1  0.294825  0.640479  0.625193  1
  Fe  Fe140  1  0.794634  0.640528  0.625079  1
  Fe  Fe141  1  0.225902  0.277668  0.642190  1
  Fe  Fe142  1  0.157750  0.913191  0.657742  1
  Fe  Fe143  1  0.725960  0.277640  0.642150  1
  Fe  Fe144  1  0.657510  0.913421  0.657721  1
  Fe  Fe145  1  0.840958  0.550444  0.672156  1
  Fe  Fe146  1  0.341109  0.550612  0.672325  1
  Fe  Fe147  1  0.772184  0.185159  0.688719  1
  Fe  Fe148  1  0.704474  0.818069  0.704369  1
  Fe  Fe149  1  0.272056  0.185195  0.688741  1
  Fe  Fe150  1  0.204878  0.818034  0.704225  1
  Fe  Fe151  1  0.803167  0.373004  0.681361  1
  Fe  Fe152  1  0.303361  0.373013  0.681365  1
  Fe  Fe153  1  0.738413  0.002841  0.696528  1
  Fe  Fe154  1  0.673462  0.634332  0.711131  1
  Fe  Fe155  1  0.238601  0.002472  0.696560  1
  Fe  Fe156  1  0.171763  0.634368  0.711133  1
  Fe  Fe157  1  0.587820  0.550598  0.672313  1
  Fe  Fe158  1  0.088115  0.550449  0.672157  1
  Fe  Fe159  1  0.522311  0.185134  0.688720  1
  Fe  Fe160  1  0.456795  0.817918  0.704235  1
  Fe  Fe161  1  0.022411  0.185192  0.688739  1
  Fe  Fe162  1  0.957141  0.818069  0.704369  1
  Ni  Ni163  1  0.689420  0.098808  0.299188  1
  Ni  Ni164  1  0.189919  0.098839  0.299187  1
  Ni  Ni165  1  0.623286  0.731612  0.314702  1
  Ni  Ni166  1  0.554153  0.370389  0.332216  1
  Ni  Ni167  1  0.122963  0.732257  0.314844  1
  Ni  Ni168  1  0.758724  0.460969  0.285109  1
  Ni  Ni169  1  0.985953  0.006394  0.347688  1
  Ni  Ni170  1  0.485962  0.006365  0.347684  1
  Ni  Ni171  1  0.918711  0.641514  0.363254  1
  Ni  Ni172  1  0.850541  0.277382  0.379458  1
  Ni  Ni173  1  0.418178  0.641500  0.363247  1
  Ni  Ni174  1  0.053791  0.370392  0.332218  1
  Ni  Ni175  1  0.282309  0.913940  0.394676  1
  Ni  Ni176  1  0.782275  0.913942  0.394675  1
  Ni  Ni177  1  0.213682  0.551224  0.410975  1
  Ni  Ni178  1  0.145847  0.186958  0.427034  1
  Ni  Ni179  1  0.713662  0.551256  0.410994  1
  Ni  Ni180  1  0.350610  0.277243  0.379584  1
  Ni  Ni181  1  0.577781  0.823124  0.442716  1
  Ni  Ni182  1  0.077769  0.823162  0.442729  1
  Ni  Ni183  1  0.509583  0.459632  0.458742  1
  Ni  Ni184  1  0.441627  0.095560  0.474573  1
  Ni  Ni185  1  0.009546  0.459628  0.458742  1
  Ni  Ni186  1  0.645833  0.186960  0.427031  1
  Ni  Ni187  1  0.873355  0.732184  0.490410  1
  Ni  Ni188  1  0.373345  0.732172  0.490420  1
  Ni  Ni189  1  0.805303  0.368311  0.506402  1
  Ni  Ni190  1  0.737074  0.004838  0.522360  1
  Ni  Ni191  1  0.305324  0.368314  0.506406  1
  Ni  Ni192  1  0.941618  0.095593  0.474552  1
  Ni  Ni193  1  0.168971  0.641131  0.538122  1
  Ni  Ni194  1  0.668954  0.641135  0.538122  1
  Ni  Ni195  1  0.100961  0.277202  0.554061  1
  Ni  Ni196  1  0.032736  0.913728  0.569880  1
  Ni  Ni197  1  0.600965  0.277204  0.554051  1
  Ni  Ni198  1  0.237092  0.004818  0.522370  1
  Ni  Ni199  1  0.464961  0.549317  0.585738  1
  Ni  Ni200  1  0.964975  0.549290  0.585683  1
  Ni  Ni201  1  0.396375  0.186464  0.602228  1
  Ni  Ni202  1  0.328256  0.822828  0.617831  1
  Ni  Ni203  1  0.896428  0.186468  0.602225  1
  Ni  Ni204  1  0.532721  0.913720  0.569883  1
  Ni  Ni205  1  0.760277  0.458651  0.633235  1
  Ni  Ni206  1  0.260496  0.458656  0.633239  1
  Ni  Ni207  1  0.692296  0.094915  0.649268  1
  Ni  Ni208  1  0.624538  0.730845  0.664553  1
  Ni  Ni209  1  0.192360  0.094795  0.649301  1
  Ni  Ni210  1  0.828196  0.822948  0.617791  1
  Ni  Ni211  1  0.055242  0.369071  0.682046  1
  Ni  Ni212  1  0.555463  0.368626  0.681935  1
  Ni  Ni213  1  0.988464  0.002877  0.697814  1
  Ni  Ni214  1  0.921246  0.637059  0.712392  1
  Ni  Ni215  1  0.488334  0.002840  0.697818  1
  Ni  Ni216  1  0.124175  0.730851  0.664552  1
