# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92346571
_cell_length_b   10.92296321
_cell_length_c   47.03015586
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe63 Ni189'
_cell_volume   5583.3510633
_cell_formula_units_Z   63
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  0.867675  0.201148  0.341700  1
  Fe  Fe2  1  0.292229  0.959222  0.275587  1
  Fe  Fe3  1  0.262933  0.262785  0.297636  1
  Fe  Fe4  1  0.625738  0.625713  0.275587  1
  Fe  Fe5  1  0.595847  0.929321  0.297569  1
  Fe  Fe6  1  0.565380  0.231755  0.319706  1
  Fe  Fe7  1  0.929310  0.596409  0.297636  1
  Fe  Fe8  1  0.898279  0.898857  0.319705  1
  Fe  Fe9  1  0.230923  0.564399  0.319649  1
  Fe  Fe10  1  0.776674  0.110142  0.408533  1
  Fe  Fe11  1  0.201274  0.868025  0.341657  1
  Fe  Fe12  1  0.170773  0.171229  0.364039  1
  Fe  Fe13  1  0.534553  0.534746  0.341657  1
  Fe  Fe14  1  0.504187  0.837658  0.364106  1
  Fe  Fe15  1  0.473788  0.140578  0.386286  1
  Fe  Fe16  1  0.837757  0.504244  0.364039  1
  Fe  Fe17  1  0.807108  0.807258  0.386286  1
  Fe  Fe18  1  0.140348  0.473817  0.386222  1
  Fe  Fe19  1  0.685389  0.018851  0.475197  1
  Fe  Fe20  1  0.110020  0.776814  0.408515  1
  Fe  Fe21  1  0.079573  0.079699  0.430715  1
  Fe  Fe22  1  0.443346  0.443488  0.408516  1
  Fe  Fe23  1  0.412872  0.746337  0.430697  1
  Fe  Fe24  1  0.382467  0.049297  0.452965  1
  Fe  Fe25  1  0.746234  0.413039  0.430715  1
  Fe  Fe26  1  0.715833  0.715930  0.452965  1
  Fe  Fe27  1  0.049146  0.382610  0.452967  1
  Fe  Fe28  1  0.594115  0.927571  0.541896  1
  Fe  Fe29  1  0.018731  0.685511  0.475193  1
  Fe  Fe30  1  0.988306  0.988420  0.497428  1
  Fe  Fe31  1  0.352050  0.352193  0.475193  1
  Fe  Fe32  1  0.321633  0.655092  0.497430  1
  Fe  Fe33  1  0.291211  0.957993  0.519660  1
  Fe  Fe34  1  0.654961  0.321766  0.497428  1
  Fe  Fe35  1  0.624535  0.624669  0.519660  1
  Fe  Fe36  1  0.957870  0.291328  0.519653  1
  Fe  Fe37  1  0.502861  0.836312  0.608600  1
  Fe  Fe38  1  0.927427  0.594242  0.541879  1
  Fe  Fe39  1  0.896974  0.897204  0.564133  1
  Fe  Fe40  1  0.260786  0.260883  0.541879  1
  Fe  Fe41  1  0.230352  0.563806  0.564122  1
  Fe  Fe42  1  0.199918  0.866732  0.586356  1
  Fe  Fe43  1  0.563751  0.230428  0.564133  1
  Fe  Fe44  1  0.533280  0.533370  0.586356  1
  Fe  Fe45  1  0.866579  0.200031  0.586322  1
  Fe  Fe46  1  0.411767  0.745211  0.675359  1
  Fe  Fe47  1  0.836200  0.502958  0.608601  1
  Fe  Fe48  1  0.805788  0.805823  0.630801  1
  Fe  Fe49  1  0.169507  0.169650  0.608601  1
  Fe  Fe50  1  0.138955  0.472403  0.630742  1
  Fe  Fe51  1  0.108207  0.775795  0.652998  1
  Fe  Fe52  1  0.472374  0.139236  0.630802  1
  Fe  Fe53  1  0.442349  0.441653  0.652998  1
  Fe  Fe54  1  0.775285  0.108732  0.653266  1
  Fe  Fe55  1  0.318930  0.652361  0.740662  1
  Fe  Fe56  1  0.745232  0.411936  0.675163  1
  Fe  Fe57  1  0.714010  0.714083  0.697333  1
  Fe  Fe58  1  0.078493  0.078676  0.675163  1
  Fe  Fe59  1  0.047120  0.380565  0.697258  1
  Fe  Fe60  1  0.018732  0.684851  0.719522  1
  Fe  Fe61  1  0.380638  0.047456  0.697333  1
  Fe  Fe62  1  0.351416  0.352171  0.719522  1
  Fe  Fe63  1  0.684146  0.017581  0.719352  1
  Ni  Ni64  1  0.092600  0.426074  0.296005  1
  Ni  Ni65  1  0.428365  0.095215  0.296734  1
  Ni  Ni66  1  0.398519  0.398511  0.319938  1
  Ni  Ni67  1  0.761741  0.761840  0.296734  1
  Ni  Ni68  1  0.731724  0.065201  0.319902  1
  Ni  Ni69  1  0.794553  0.462493  0.275805  1
  Ni  Ni70  1  0.065034  0.731995  0.319939  1
  Ni  Ni71  1  0.129010  0.128037  0.275805  1
  Ni  Ni72  1  0.461627  0.795111  0.275259  1
  Ni  Ni73  1  0.064382  0.231850  0.319548  1
  Ni  Ni74  1  0.398444  0.898262  0.319815  1
  Ni  Ni75  1  0.459286  0.292948  0.275568  1
  Ni  Ni76  1  0.731604  0.565468  0.319918  1
  Ni  Ni77  1  0.792443  0.959406  0.275608  1
  Ni  Ni78  1  0.762931  0.262267  0.296623  1
  Ni  Ni79  1  0.125845  0.626252  0.275606  1
  Ni  Ni80  1  0.094659  0.928610  0.296847  1
  Ni  Ni81  1  0.427888  0.595286  0.296816  1
  Ni  Ni82  1  0.898375  0.397855  0.319547  1
  Ni  Ni83  1  0.231992  0.065079  0.319919  1
  Ni  Ni84  1  0.292771  0.459326  0.275606  1
  Ni  Ni85  1  0.564787  0.731920  0.319815  1
  Ni  Ni86  1  0.625923  0.125924  0.275608  1
  Ni  Ni87  1  0.595133  0.428136  0.296847  1
  Ni  Ni88  1  0.959467  0.792768  0.275568  1
  Ni  Ni89  1  0.928791  0.096411  0.296623  1
  Ni  Ni90  1  0.261809  0.761364  0.296816  1
  Ni  Ni91  1  0.004015  0.337486  0.364135  1
  Ni  Ni92  1  0.337504  0.004293  0.364146  1
  Ni  Ni93  1  0.307102  0.307288  0.386214  1
  Ni  Ni94  1  0.670822  0.670976  0.364146  1
  Ni  Ni95  1  0.640433  0.973902  0.386247  1
  Ni  Ni96  1  0.701217  0.368058  0.341639  1
  Ni  Ni97  1  0.973818  0.640571  0.386214  1
  Ni  Ni98  1  0.034586  0.034690  0.341639  1
  Ni  Ni99  1  0.367613  0.701086  0.341619  1
  Ni  Ni100  1  0.973723  0.140473  0.386220  1
  Ni  Ni101  1  0.307010  0.807134  0.386198  1
  Ni  Ni102  1  0.368353  0.201188  0.341780  1
  Ni  Ni103  1  0.640466  0.473877  0.386204  1
  Ni  Ni104  1  0.701457  0.867808  0.341758  1
  Ni  Ni105  1  0.670852  0.171094  0.364118  1
  Ni  Ni106  1  0.034737  0.534182  0.341674  1
  Ni  Ni107  1  0.004247  0.837889  0.364106  1
  Ni  Ni108  1  0.337460  0.504376  0.364069  1
  Ni  Ni109  1  0.807004  0.307193  0.386220  1
  Ni  Ni110  1  0.140408  0.973935  0.386204  1
  Ni  Ni111  1  0.200710  0.368209  0.341674  1
  Ni  Ni112  1  0.473665  0.640479  0.386198  1
  Ni  Ni113  1  0.534335  0.034930  0.341758  1
  Ni  Ni114  1  0.504417  0.337719  0.364106  1
  Ni  Ni115  1  0.867715  0.701826  0.341780  1
  Ni  Ni116  1  0.837622  0.004324  0.364118  1
  Ni  Ni117  1  0.170904  0.670932  0.364069  1
  Ni  Ni118  1  0.912911  0.246376  0.430711  1
  Ni  Ni119  1  0.246240  0.913053  0.430702  1
  Ni  Ni120  1  0.215804  0.215948  0.452968  1
  Ni  Ni121  1  0.579588  0.579705  0.430702  1
  Ni  Ni122  1  0.549128  0.882592  0.452971  1
  Ni  Ni123  1  0.610012  0.276834  0.408538  1
  Ni  Ni124  1  0.882484  0.549267  0.452968  1
  Ni  Ni125  1  0.943366  0.943480  0.408538  1
  Ni  Ni126  1  0.276622  0.610090  0.408504  1
  Ni  Ni127  1  0.882500  0.049291  0.452976  1
  Ni  Ni128  1  0.215825  0.715943  0.452964  1
  Ni  Ni129  1  0.276628  0.110220  0.408505  1
  Ni  Ni130  1  0.549150  0.382640  0.452973  1
  Ni  Ni131  1  0.610005  0.776800  0.408527  1
  Ni  Ni132  1  0.579576  0.079697  0.430739  1
  Ni  Ni133  1  0.943329  0.443481  0.408516  1
  Ni  Ni134  1  0.912937  0.746337  0.430729  1
  Ni  Ni135  1  0.246216  0.413030  0.430714  1
  Ni  Ni136  1  0.715827  0.215964  0.452976  1
  Ni  Ni137  1  0.049176  0.882613  0.452972  1
  Ni  Ni138  1  0.110014  0.276797  0.408516  1
  Ni  Ni139  1  0.382479  0.549289  0.452964  1
  Ni  Ni140  1  0.443332  0.943472  0.408527  1
  Ni  Ni141  1  0.412872  0.246403  0.430729  1
  Ni  Ni142  1  0.776753  0.610095  0.408504  1
  Ni  Ni143  1  0.746232  0.913041  0.430739  1
  Ni  Ni144  1  0.079565  0.579681  0.430714  1
  Ni  Ni145  1  0.821631  0.155091  0.497425  1
  Ni  Ni146  1  0.154972  0.821754  0.497429  1
  Ni  Ni147  1  0.124544  0.124653  0.519657  1
  Ni  Ni148  1  0.488295  0.488432  0.497430  1
  Ni  Ni149  1  0.457873  0.791331  0.519662  1
  Ni  Ni150  1  0.518720  0.185526  0.475196  1
  Ni  Ni151  1  0.791196  0.458002  0.519657  1
  Ni  Ni152  1  0.852064  0.852182  0.475196  1
  Ni  Ni153  1  0.185390  0.518852  0.475190  1
  Ni  Ni154  1  0.791195  0.958005  0.519662  1
  Ni  Ni155  1  0.124536  0.624672  0.519659  1
  Ni  Ni156  1  0.185392  0.018841  0.475188  1
  Ni  Ni157  1  0.457889  0.291321  0.519662  1
  Ni  Ni158  1  0.518711  0.685511  0.475183  1
  Ni  Ni159  1  0.488296  0.988418  0.497427  1
  Ni  Ni160  1  0.852049  0.352184  0.475188  1
  Ni  Ni161  1  0.821626  0.655096  0.497425  1
  Ni  Ni162  1  0.154964  0.321753  0.497423  1
  Ni  Ni163  1  0.624548  0.124653  0.519662  1
  Ni  Ni164  1  0.957863  0.791347  0.519662  1
  Ni  Ni165  1  0.018722  0.185511  0.475188  1
  Ni  Ni166  1  0.291215  0.457994  0.519659  1
  Ni  Ni167  1  0.352050  0.852172  0.475183  1
  Ni  Ni168  1  0.321636  0.155085  0.497425  1
  Ni  Ni169  1  0.685380  0.518854  0.475188  1
  Ni  Ni170  1  0.654958  0.821756  0.497427  1
  Ni  Ni171  1  0.988293  0.488424  0.497423  1
  Ni  Ni172  1  0.730350  0.063803  0.564148  1
  Ni  Ni173  1  0.063653  0.730505  0.564126  1
  Ni  Ni174  1  0.033239  0.033434  0.586327  1
  Ni  Ni175  1  0.397051  0.397107  0.564126  1
  Ni  Ni176  1  0.366597  0.700049  0.586351  1
  Ni  Ni177  1  0.427461  0.094229  0.541887  1
  Ni  Ni178  1  0.699983  0.366691  0.586327  1
  Ni  Ni179  1  0.760773  0.760917  0.541887  1
  Ni  Ni180  1  0.094112  0.427567  0.541874  1
  Ni  Ni181  1  0.699946  0.866709  0.586357  1
  Ni  Ni182  1  0.033223  0.533347  0.586319  1
  Ni  Ni183  1  0.094110  0.927568  0.541890  1
  Ni  Ni184  1  0.366599  0.200007  0.586337  1
  Ni  Ni185  1  0.427453  0.594234  0.541894  1
  Ni  Ni186  1  0.397019  0.897165  0.564137  1
  Ni  Ni187  1  0.760778  0.260892  0.541877  1
  Ni  Ni188  1  0.730353  0.563828  0.564133  1
  Ni  Ni189  1  0.063691  0.230485  0.564120  1
  Ni  Ni190  1  0.533257  0.033398  0.586357  1
  Ni  Ni191  1  0.866556  0.700051  0.586337  1
  Ni  Ni192  1  0.927436  0.094234  0.541877  1
  Ni  Ni193  1  0.199895  0.366675  0.586319  1
  Ni  Ni194  1  0.260778  0.760909  0.541894  1
  Ni  Ni195  1  0.230374  0.063807  0.564133  1
  Ni  Ni196  1  0.594112  0.427566  0.541891  1
  Ni  Ni197  1  0.563711  0.730473  0.564137  1
  Ni  Ni198  1  0.897031  0.397145  0.564120  1
  Ni  Ni199  1  0.639143  0.972591  0.630775  1
  Ni  Ni200  1  0.972438  0.639213  0.630744  1
  Ni  Ni201  1  0.942000  0.942357  0.653246  1
  Ni  Ni202  1  0.305764  0.305885  0.630744  1
  Ni  Ni203  1  0.275408  0.608855  0.652997  1
  Ni  Ni204  1  0.336171  0.002961  0.608644  1
  Ni  Ni205  1  0.608911  0.275446  0.653246  1
  Ni  Ni206  1  0.669510  0.669621  0.608644  1
  Ni  Ni207  1  0.002768  0.336218  0.608616  1
  Ni  Ni208  1  0.608461  0.775773  0.653127  1
  Ni  Ni209  1  0.941803  0.442440  0.653112  1
  Ni  Ni210  1  0.002698  0.836492  0.608586  1
  Ni  Ni211  1  0.275237  0.109193  0.653146  1
  Ni  Ni212  1  0.336205  0.502913  0.608580  1
  Ni  Ni213  1  0.305787  0.805769  0.630809  1
  Ni  Ni214  1  0.669601  0.169619  0.608662  1
  Ni  Ni215  1  0.639218  0.472415  0.630765  1
  Ni  Ni216  1  0.972312  0.139084  0.630766  1
  Ni  Ni217  1  0.442326  0.941908  0.653127  1
  Ni  Ni218  1  0.775746  0.608684  0.653146  1
  Ni  Ni219  1  0.836169  0.003051  0.608662  1
  Ni  Ni220  1  0.108993  0.275250  0.653112  1
  Ni  Ni221  1  0.169462  0.669655  0.608580  1
  Ni  Ni222  1  0.138967  0.972666  0.630765  1
  Ni  Ni223  1  0.503042  0.336148  0.608586  1
  Ni  Ni224  1  0.472321  0.639235  0.630809  1
  Ni  Ni225  1  0.805636  0.305760  0.630766  1
  Ni  Ni226  1  0.547880  0.881325  0.698305  1
  Ni  Ni227  1  0.881851  0.548687  0.698283  1
  Ni  Ni228  1  0.848371  0.848194  0.719654  1
  Ni  Ni229  1  0.215242  0.215297  0.698283  1
  Ni  Ni230  1  0.181066  0.514502  0.720057  1
  Ni  Ni231  1  0.244873  0.911714  0.674994  1
  Ni  Ni232  1  0.514758  0.181808  0.719654  1
  Ni  Ni233  1  0.578270  0.578316  0.674994  1
  Ni  Ni234  1  0.911442  0.244885  0.674955  1
  Ni  Ni235  1  0.517761  0.683021  0.719853  1
  Ni  Ni236  1  0.850766  0.350594  0.719336  1
  Ni  Ni237  1  0.911744  0.745161  0.675149  1
  Ni  Ni238  1  0.183828  0.017338  0.719390  1
  Ni  Ni239  1  0.244780  0.411853  0.675098  1
  Ni  Ni240  1  0.213964  0.715268  0.697217  1
  Ni  Ni241  1  0.578079  0.078408  0.675113  1
  Ni  Ni242  1  0.548794  0.381579  0.698113  1
  Ni  Ni243  1  0.881918  0.048154  0.698112  1
  Ni  Ni244  1  0.349583  0.851201  0.719854  1
  Ni  Ni245  1  0.683899  0.517266  0.719390  1
  Ni  Ni246  1  0.744965  0.911522  0.675113  1
  Ni  Ni247  1  0.017155  0.184205  0.719337  1
  Ni  Ni248  1  0.078410  0.578224  0.675098  1
  Ni  Ni249  1  0.048136  0.882237  0.698113  1
  Ni  Ni250  1  0.411717  0.245188  0.675149  1
  Ni  Ni251  1  0.381826  0.547405  0.697216  1
  Ni  Ni252  1  0.714711  0.215361  0.698112  1
