# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.72185091
_cell_length_b   12.72066480
_cell_length_c   46.32432648
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe72 Ni216'
_cell_volume   7132.98954267
_cell_formula_units_Z   72
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  0.627497  0.960933  0.332860  1
  Fe  Fe2  1  0.960603  0.627827  0.332860  1
  Fe  Fe3  1  0.001506  0.001831  0.315270  1
  Fe  Fe4  1  0.374127  0.040863  0.296876  1
  Fe  Fe5  1  0.707715  0.708051  0.296868  1
  Fe  Fe6  1  0.040530  0.374464  0.296876  1
  Fe  Fe7  1  0.413366  0.413720  0.278878  1
  Fe  Fe8  1  0.335980  0.666976  0.315343  1
  Fe  Fe9  1  0.666650  0.336304  0.315342  1
  Fe  Fe10  1  0.510596  0.844136  0.388579  1
  Fe  Fe11  1  0.843819  0.510912  0.388579  1
  Fe  Fe12  1  0.883454  0.883772  0.369669  1
  Fe  Fe13  1  0.255160  0.921922  0.350584  1
  Fe  Fe14  1  0.588988  0.589310  0.350942  1
  Fe  Fe15  1  0.921600  0.255483  0.350584  1
  Fe  Fe16  1  0.294529  0.294858  0.332455  1
  Fe  Fe17  1  0.216211  0.550437  0.370211  1
  Fe  Fe18  1  0.550118  0.216531  0.370210  1
  Fe  Fe19  1  0.392739  0.726449  0.443918  1
  Fe  Fe20  1  0.726145  0.393042  0.443917  1
  Fe  Fe21  1  0.765247  0.765555  0.425449  1
  Fe  Fe22  1  0.137770  0.804668  0.406951  1
  Fe  Fe23  1  0.471085  0.471396  0.407191  1
  Fe  Fe24  1  0.804357  0.138082  0.406951  1
  Fe  Fe25  1  0.177167  0.177484  0.388562  1
  Fe  Fe26  1  0.098486  0.432107  0.425394  1
  Fe  Fe27  1  0.431799  0.098794  0.425395  1
  Fe  Fe28  1  0.274955  0.608588  0.499568  1
  Fe  Fe29  1  0.608295  0.275248  0.499568  1
  Fe  Fe30  1  0.647559  0.647855  0.481051  1
  Fe  Fe31  1  0.020046  0.687201  0.462509  1
  Fe  Fe32  1  0.353454  0.353754  0.462587  1
  Fe  Fe33  1  0.686900  0.020347  0.462509  1
  Fe  Fe34  1  0.059405  0.059709  0.443823  1
  Fe  Fe35  1  0.980870  0.314493  0.481015  1
  Fe  Fe36  1  0.314196  0.981167  0.481015  1
  Fe  Fe37  1  0.157219  0.490772  0.555200  1
  Fe  Fe38  1  0.490491  0.157501  0.555200  1
  Fe  Fe39  1  0.529816  0.530101  0.536576  1
  Fe  Fe40  1  0.902399  0.569347  0.518040  1
  Fe  Fe41  1  0.235748  0.236037  0.518071  1
  Fe  Fe42  1  0.569058  0.902688  0.518040  1
  Fe  Fe43  1  0.941662  0.941955  0.499478  1
  Fe  Fe44  1  0.863086  0.196861  0.536508  1
  Fe  Fe45  1  0.196576  0.863371  0.536508  1
  Fe  Fe46  1  0.039492  0.373186  0.610534  1
  Fe  Fe47  1  0.372917  0.039761  0.610534  1
  Fe  Fe48  1  0.412205  0.412478  0.592220  1
  Fe  Fe49  1  0.784721  0.451630  0.573654  1
  Fe  Fe50  1  0.118127  0.118404  0.573711  1
  Fe  Fe51  1  0.451353  0.784998  0.573654  1
  Fe  Fe52  1  0.823830  0.824112  0.555119  1
  Fe  Fe53  1  0.745556  0.079089  0.591991  1
  Fe  Fe54  1  0.078815  0.745830  0.591991  1
  Fe  Fe55  1  0.921925  0.255690  0.666644  1
  Fe  Fe56  1  0.255433  0.922182  0.666644  1
  Fe  Fe57  1  0.294824  0.295087  0.648440  1
  Fe  Fe58  1  0.666306  0.333928  0.629120  1
  Fe  Fe59  1  1.000257  1.000523  0.628664  1
  Fe  Fe60  1  0.333663  0.666572  0.629119  1
  Fe  Fe61  1  0.706169  0.706438  0.610515  1
  Fe  Fe62  1  0.627725  0.961137  0.648131  1
  Fe  Fe63  1  0.960873  0.627989  0.648130  1
  Fe  Fe64  1  0.804472  0.136439  0.720053  1
  Fe  Fe65  1  0.136205  0.804704  0.720053  1
  Fe  Fe66  1  0.176462  0.176715  0.702169  1
  Fe  Fe67  1  0.550679  0.214906  0.684272  1
  Fe  Fe68  1  0.882719  0.882978  0.684171  1
  Fe  Fe69  1  0.214647  0.550938  0.684272  1
  Fe  Fe70  1  0.589207  0.589463  0.666214  1
  Fe  Fe71  1  0.509278  0.842759  0.702179  1
  Fe  Fe72  1  0.842510  0.509532  0.702179  1
  Ni  Ni73  1  0.832603  0.167804  0.312923  1
  Ni  Ni74  1  0.167480  0.832928  0.312923  1
  Ni  Ni75  1  0.207501  0.207836  0.295070  1
  Ni  Ni76  1  0.584578  0.253291  0.277682  1
  Ni  Ni77  1  0.795533  0.795863  0.333155  1
  Ni  Ni78  1  0.252937  0.584936  0.277682  1
  Ni  Ni79  1  0.501637  0.501961  0.313951  1
  Ni  Ni80  1  0.540926  0.874641  0.295142  1
  Ni  Ni81  1  0.874308  0.541261  0.295142  1
  Ni  Ni82  1  0.814716  0.980879  0.323096  1
  Ni  Ni83  1  0.147798  0.647497  0.323819  1
  Ni  Ni84  1  0.187425  0.019088  0.304334  1
  Ni  Ni85  1  0.560011  0.060276  0.286706  1
  Ni  Ni86  1  0.893688  0.726148  0.286716  1
  Ni  Ni87  1  0.226678  0.393436  0.286229  1
  Ni  Ni88  1  0.481317  0.313924  0.324309  1
  Ni  Ni89  1  0.520798  0.686187  0.304303  1
  Ni  Ni90  1  0.853048  0.352460  0.304177  1
  Ni  Ni91  1  0.647166  0.148126  0.323818  1
  Ni  Ni92  1  0.980552  0.815041  0.323096  1
  Ni  Ni93  1  0.018757  0.187757  0.304334  1
  Ni  Ni94  1  0.393089  0.227021  0.286228  1
  Ni  Ni95  1  0.725798  0.894041  0.286715  1
  Ni  Ni96  1  0.059931  0.560365  0.286706  1
  Ni  Ni97  1  0.313591  0.481649  0.324310  1
  Ni  Ni98  1  0.352128  0.853377  0.304176  1
  Ni  Ni99  1  0.685855  0.521128  0.304303  1
  Ni  Ni100  1  0.716485  0.049616  0.369660  1
  Ni  Ni101  1  0.049297  0.716803  0.369661  1
  Ni  Ni102  1  0.089577  0.089899  0.351425  1
  Ni  Ni103  1  0.462158  0.128939  0.333180  1
  Ni  Ni104  1  0.677005  0.677322  0.388355  1
  Ni  Ni105  1  0.128610  0.462488  0.333180  1
  Ni  Ni106  1  0.382639  0.382958  0.370068  1
  Ni  Ni107  1  0.422979  0.756481  0.351454  1
  Ni  Ni108  1  0.756159  0.423301  0.351453  1
  Ni  Ni109  1  0.696970  0.863760  0.379168  1
  Ni  Ni110  1  0.029898  0.530465  0.379179  1
  Ni  Ni111  1  0.070108  0.902155  0.360704  1
  Ni  Ni112  1  0.441961  0.941218  0.342271  1
  Ni  Ni113  1  0.775451  0.608253  0.342309  1
  Ni  Ni114  1  0.108850  0.274730  0.342268  1
  Ni  Ni115  1  0.363259  0.197129  0.379073  1
  Ni  Ni116  1  0.403200  0.569172  0.361080  1
  Ni  Ni117  1  0.736289  0.235794  0.360672  1
  Ni  Ni118  1  0.530148  0.030217  0.379179  1
  Ni  Ni119  1  0.863441  0.697288  0.379169  1
  Ni  Ni120  1  0.901835  0.070428  0.360704  1
  Ni  Ni121  1  0.274401  0.109176  0.342268  1
  Ni  Ni122  1  0.607926  0.775777  0.342310  1
  Ni  Ni123  1  0.940890  0.442288  0.342271  1
  Ni  Ni124  1  0.196812  0.363577  0.379073  1
  Ni  Ni125  1  0.235474  0.736609  0.360672  1
  Ni  Ni126  1  0.568852  0.403519  0.361079  1
  Ni  Ni127  1  0.598701  0.932251  0.425509  1
  Ni  Ni128  1  0.931943  0.599009  0.425509  1
  Ni  Ni129  1  0.971281  0.971592  0.406838  1
  Ni  Ni130  1  0.343409  0.010365  0.388209  1
  Ni  Ni131  1  0.559430  0.559734  0.444017  1
  Ni  Ni132  1  0.010048  0.343726  0.388209  1
  Ni  Ni133  1  0.265326  0.265634  0.425494  1
  Ni  Ni134  1  0.304563  0.638335  0.407066  1
  Ni  Ni135  1  0.638024  0.304874  0.407066  1
  Ni  Ni136  1  0.579068  0.745891  0.434757  1
  Ni  Ni137  1  0.912375  0.412462  0.434701  1
  Ni  Ni138  1  0.951460  0.785357  0.416100  1
  Ni  Ni139  1  0.323931  0.824623  0.397442  1
  Ni  Ni140  1  0.657346  0.491462  0.397611  1
  Ni  Ni141  1  0.990529  0.158069  0.397421  1
  Ni  Ni142  1  0.245693  0.079137  0.434698  1
  Ni  Ni143  1  0.284780  0.451845  0.416326  1
  Ni  Ni144  1  0.618373  0.118217  0.416267  1
  Ni  Ni145  1  0.412155  0.912681  0.434701  1
  Ni  Ni146  1  0.745584  0.579375  0.434757  1
  Ni  Ni147  1  0.785047  0.951770  0.416100  1
  Ni  Ni148  1  0.157757  0.990842  0.397421  1
  Ni  Ni149  1  0.491150  0.657659  0.397611  1
  Ni  Ni150  1  0.824311  0.324244  0.397442  1
  Ni  Ni151  1  0.078830  0.246000  0.434698  1
  Ni  Ni152  1  0.117907  0.618683  0.416267  1
  Ni  Ni153  1  0.451535  0.285090  0.416325  1
  Ni  Ni154  1  0.480876  0.814525  0.481005  1
  Ni  Ni155  1  0.814228  0.481172  0.481005  1
  Ni  Ni156  1  0.853460  0.853761  0.462458  1
  Ni  Ni157  1  0.226040  0.893025  0.443891  1
  Ni  Ni158  1  0.441633  0.441926  0.499596  1
  Ni  Ni159  1  0.892722  0.226344  0.443891  1
  Ni  Ni160  1  0.147529  0.147825  0.480989  1
  Ni  Ni161  1  0.186657  0.520396  0.462525  1
  Ni  Ni162  1  0.520095  0.186958  0.462525  1
  Ni  Ni163  1  0.461241  0.628288  0.490277  1
  Ni  Ni164  1  0.794564  0.294936  0.490234  1
  Ni  Ni165  1  0.833808  0.667510  0.471766  1
  Ni  Ni166  1  0.206402  0.706748  0.453267  1
  Ni  Ni167  1  0.539840  0.373317  0.453347  1
  Ni  Ni168  1  0.873147  0.040009  0.453187  1
  Ni  Ni169  1  0.127916  0.961600  0.490200  1
  Ni  Ni170  1  0.167126  0.334144  0.471758  1
  Ni  Ni171  1  0.500482  0.000813  0.471743  1
  Ni  Ni172  1  0.294641  0.794859  0.490234  1
  Ni  Ni173  1  0.627994  0.461535  0.490277  1
  Ni  Ni174  1  0.667212  0.834107  0.471766  1
  Ni  Ni175  1  0.039706  0.873449  0.453187  1
  Ni  Ni176  1  0.373015  0.540142  0.453347  1
  Ni  Ni177  1  0.706446  0.206704  0.453267  1
  Ni  Ni178  1  0.961306  0.128211  0.490200  1
  Ni  Ni179  1  0.000514  0.500781  0.471743  1
  Ni  Ni180  1  0.333846  0.167424  0.471758  1
  Ni  Ni181  1  0.363222  0.696755  0.536588  1
  Ni  Ni182  1  0.696470  0.363506  0.536588  1
  Ni  Ni183  1  0.735719  0.736007  0.518068  1
  Ni  Ni184  1  0.108307  0.775275  0.499506  1
  Ni  Ni185  1  0.323915  0.324197  0.555219  1
  Ni  Ni186  1  0.774983  0.108600  0.499506  1
  Ni  Ni187  1  0.029923  0.030208  0.536526  1
  Ni  Ni188  1  0.069075  0.402681  0.518077  1
  Ni  Ni189  1  0.402392  0.069363  0.518077  1
  Ni  Ni190  1  0.343539  0.510447  0.545884  1
  Ni  Ni191  1  0.676781  0.177198  0.545808  1
  Ni  Ni192  1  0.716140  0.549691  0.527327  1
  Ni  Ni193  1  0.088679  0.588936  0.508826  1
  Ni  Ni194  1  0.422035  0.255603  0.508870  1
  Ni  Ni195  1  0.755380  0.922255  0.508796  1
  Ni  Ni196  1  0.010176  0.843817  0.545736  1
  Ni  Ni197  1  0.049483  0.216383  0.527332  1
  Ni  Ni198  1  0.382814  0.883036  0.527312  1
  Ni  Ni199  1  0.176915  0.677064  0.545808  1
  Ni  Ni200  1  0.510164  0.343822  0.545884  1
  Ni  Ni201  1  0.549404  0.716427  0.527327  1
  Ni  Ni202  1  0.921963  0.755671  0.508796  1
  Ni  Ni203  1  0.255312  0.422325  0.508870  1
  Ni  Ni204  1  0.588645  0.088970  0.508826  1
  Ni  Ni205  1  0.843533  0.010459  0.545736  1
  Ni  Ni206  1  0.882748  0.383101  0.527312  1
  Ni  Ni207  1  0.216096  0.049770  0.527332  1
  Ni  Ni208  1  0.245387  0.578867  0.592129  1
  Ni  Ni209  1  0.578593  0.245661  0.592129  1
  Ni  Ni210  1  0.617998  0.618275  0.573570  1
  Ni  Ni211  1  0.990543  0.657482  0.555100  1
  Ni  Ni212  1  0.206518  0.206786  0.610876  1
  Ni  Ni213  1  0.657200  0.990825  0.555101  1
  Ni  Ni214  1  0.911986  0.912260  0.591941  1
  Ni  Ni215  1  0.951282  0.284964  0.573593  1
  Ni  Ni216  1  0.284686  0.951559  0.573593  1
  Ni  Ni217  1  0.226035  0.392608  0.601673  1
  Ni  Ni218  1  0.559298  0.059106  0.601516  1
  Ni  Ni219  1  0.598271  0.432156  0.582906  1
  Ni  Ni220  1  0.970896  0.471315  0.564341  1
  Ni  Ni221  1  0.304246  0.138074  0.564392  1
  Ni  Ni222  1  0.637546  0.804670  0.564340  1
  Ni  Ni223  1  0.892579  0.725883  0.601502  1
  Ni  Ni224  1  0.931628  0.098964  0.582714  1
  Ni  Ni225  1  0.265195  0.765197  0.582858  1
  Ni  Ni226  1  0.058832  0.559570  0.601516  1
  Ni  Ni227  1  0.392335  0.226308  0.601673  1
  Ni  Ni228  1  0.431882  0.598546  0.582906  1
  Ni  Ni229  1  0.804391  0.637825  0.564340  1
  Ni  Ni230  1  0.137796  0.304525  0.564392  1
  Ni  Ni231  1  0.471036  0.971175  0.564341  1
  Ni  Ni232  1  0.725610  0.892851  0.601502  1
  Ni  Ni233  1  0.764922  0.265470  0.582859  1
  Ni  Ni234  1  0.098689  0.931904  0.582714  1
  Ni  Ni235  1  0.127313  0.461053  0.647777  1
  Ni  Ni236  1  0.460789  0.127577  0.647777  1
  Ni  Ni237  1  0.500242  0.500508  0.629558  1
  Ni  Ni238  1  0.872939  0.539886  0.610742  1
  Ni  Ni239  1  0.088240  0.088497  0.665863  1
  Ni  Ni240  1  0.539617  0.873208  0.610742  1
  Ni  Ni241  1  0.794011  0.794275  0.647742  1
  Ni  Ni242  1  0.833580  0.167686  0.629161  1
  Ni  Ni243  1  0.167421  0.833846  0.629160  1
  Ni  Ni244  1  0.107702  0.276077  0.656810  1
  Ni  Ni245  1  0.440893  0.942385  0.656768  1
  Ni  Ni246  1  0.480209  0.314629  0.638523  1
  Ni  Ni247  1  0.853224  0.353300  0.619998  1
  Ni  Ni248  1  0.186932  0.019937  0.620000  1
  Ni  Ni249  1  0.519930  0.686655  0.619883  1
  Ni  Ni250  1  0.774497  0.609197  0.656767  1
  Ni  Ni251  1  0.813750  0.981017  0.638169  1
  Ni  Ni252  1  0.146659  0.647914  0.638124  1
  Ni  Ni253  1  0.942127  0.441153  0.656768  1
  Ni  Ni254  1  0.275819  0.107962  0.656810  1
  Ni  Ni255  1  0.314365  0.480474  0.638522  1
  Ni  Ni256  1  0.686388  0.520196  0.619883  1
  Ni  Ni257  1  0.019669  0.187199  0.620000  1
  Ni  Ni258  1  0.353031  0.853492  0.619998  1
  Ni  Ni259  1  0.608938  0.774757  0.656767  1
  Ni  Ni260  1  0.647649  0.146924  0.638124  1
  Ni  Ni261  1  0.980751  0.814015  0.638169  1
  Ni  Ni262  1  0.009114  0.342853  0.703997  1
  Ni  Ni263  1  0.342599  0.009364  0.703997  1
  Ni  Ni264  1  0.383152  0.383411  0.685879  1
  Ni  Ni265  1  0.754617  0.421786  0.665835  1
  Ni  Ni266  1  0.965149  0.965381  0.722007  1
  Ni  Ni267  1  0.421529  0.754873  0.665835  1
  Ni  Ni268  1  0.675914  0.676166  0.703884  1
  Ni  Ni269  1  0.715771  0.048069  0.685019  1
  Ni  Ni270  1  0.047809  0.716030  0.685019  1
  Ni  Ni271  1  0.990880  0.157283  0.712804  1
  Ni  Ni272  1  0.323275  0.823776  0.712725  1
  Ni  Ni273  1  0.363393  0.198180  0.694710  1
  Ni  Ni274  1  0.734900  0.237264  0.675193  1
  Ni  Ni275  1  0.068395  0.903941  0.674705  1
  Ni  Ni276  1  0.401886  0.570175  0.675811  1
  Ni  Ni277  1  0.657115  0.491123  0.712254  1
  Ni  Ni278  1  0.696544  0.864466  0.694770  1
  Ni  Ni279  1  0.028954  0.531159  0.694603  1
  Ni  Ni280  1  0.823540  0.323519  0.712726  1
  Ni  Ni281  1  0.157041  0.991124  0.712805  1
  Ni  Ni282  1  0.197927  0.363649  0.694710  1
  Ni  Ni283  1  0.569918  0.402145  0.675811  1
  Ni  Ni284  1  0.903689  0.068649  0.674705  1
  Ni  Ni285  1  0.237009  0.735156  0.675191  1
  Ni  Ni286  1  0.490884  0.657348  0.712255  1
  Ni  Ni287  1  0.530905  0.029208  0.694603  1
  Ni  Ni288  1  0.864213  0.696801  0.694770  1
