# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.14508367
_cell_length_b   11.14496719
_cell_length_c   48.06014120
_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   5939.70351174
_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  0.980686  0.314161  0.263885  1
  Fe  Fe2  1  0.314711  0.980129  0.263620  1
  Fe  Fe3  1  0.278177  0.278148  0.284379  1
  Fe  Fe4  1  0.646654  0.648186  0.263620  1
  Fe  Fe5  1  0.612934  0.946410  0.284479  1
  Fe  Fe6  1  0.583382  0.250293  0.306390  1
  Fe  Fe7  1  0.944672  0.611653  0.284379  1
  Fe  Fe8  1  0.916820  0.916855  0.306390  1
  Fe  Fe9  1  0.249706  0.583179  0.306545  1
  Fe  Fe10  1  0.885222  0.218696  0.327843  1
  Fe  Fe11  1  0.218265  0.885017  0.327870  1
  Fe  Fe12  1  0.189131  0.189006  0.350904  1
  Fe  Fe13  1  0.551543  0.551739  0.327870  1
  Fe  Fe14  1  0.522459  0.855933  0.351057  1
  Fe  Fe15  1  0.491866  0.158588  0.372961  1
  Fe  Fe16  1  0.855532  0.522605  0.350904  1
  Fe  Fe17  1  0.825114  0.825340  0.372961  1
  Fe  Fe18  1  0.158462  0.491936  0.372967  1
  Fe  Fe19  1  0.794719  0.128192  0.395094  1
  Fe  Fe20  1  0.127953  0.794813  0.395112  1
  Fe  Fe21  1  0.097492  0.097649  0.417212  1
  Fe  Fe22  1  0.461340  0.461426  0.395112  1
  Fe  Fe23  1  0.430841  0.764314  0.417231  1
  Fe  Fe24  1  0.400478  0.067301  0.439598  1
  Fe  Fe25  1  0.764176  0.430965  0.417212  1
  Fe  Fe26  1  0.733829  0.733951  0.439598  1
  Fe  Fe27  1  0.067136  0.400609  0.439562  1
  Fe  Fe28  1  0.703422  0.036894  0.461808  1
  Fe  Fe29  1  0.036716  0.703569  0.461791  1
  Fe  Fe30  1  0.006279  0.006472  0.483997  1
  Fe  Fe31  1  0.370096  0.370188  0.461791  1
  Fe  Fe32  1  0.339642  0.673114  0.483996  1
  Fe  Fe33  1  0.309182  0.976031  0.506211  1
  Fe  Fe34  1  0.673001  0.339751  0.483997  1
  Fe  Fe35  1  0.642560  0.642653  0.506211  1
  Fe  Fe36  1  0.975860  0.309331  0.506195  1
  Fe  Fe37  1  0.612144  0.945615  0.528457  1
  Fe  Fe38  1  0.945441  0.612239  0.528417  1
  Fe  Fe39  1  0.914986  0.915288  0.550724  1
  Fe  Fe40  1  0.278768  0.278912  0.528417  1
  Fe  Fe41  1  0.248361  0.581832  0.550648  1
  Fe  Fe42  1  0.217836  0.884847  0.572870  1
  Fe  Fe43  1  0.581817  0.248457  0.550724  1
  Fe  Fe44  1  0.551376  0.551307  0.572870  1
  Fe  Fe45  1  0.884638  0.218109  0.572925  1
  Fe  Fe46  1  0.520921  0.854391  0.595136  1
  Fe  Fe47  1  0.854229  0.520824  0.595159  1
  Fe  Fe48  1  0.823799  0.823888  0.617220  1
  Fe  Fe49  1  0.187354  0.187699  0.595159  1
  Fe  Fe50  1  0.157031  0.490501  0.617172  1
  Fe  Fe51  1  0.126641  0.793557  0.639512  1
  Fe  Fe52  1  0.490419  0.157268  0.617220  1
  Fe  Fe53  1  0.460087  0.460111  0.639512  1
  Fe  Fe54  1  0.793653  0.127123  0.640018  1
  Fe  Fe55  1  0.429781  0.763250  0.661375  1
  Fe  Fe56  1  0.763159  0.429502  0.661671  1
  Fe  Fe57  1  0.733198  0.733350  0.684037  1
  Fe  Fe58  1  0.096033  0.096628  0.661671  1
  Fe  Fe59  1  0.067136  0.400604  0.684244  1
  Fe  Fe60  1  0.033234  0.700169  0.705074  1
  Fe  Fe61  1  0.399882  0.066666  0.684037  1
  Fe  Fe62  1  0.366700  0.366703  0.705074  1
  Fe  Fe63  1  0.699528  0.032996  0.705428  1
  Ni  Ni64  1  0.118978  0.452455  0.282704  1
  Ni  Ni65  1  0.452639  0.119042  0.282495  1
  Ni  Ni66  1  0.415662  0.415638  0.304873  1
  Ni  Ni67  1  0.785566  0.786115  0.282495  1
  Ni  Ni68  1  0.749786  0.083259  0.304911  1
  Ni  Ni69  1  0.719268  0.386294  0.328448  1
  Ni  Ni70  1  0.082164  0.749136  0.304873  1
  Ni  Ni71  1  0.052820  0.052743  0.328448  1
  Ni  Ni72  1  0.480947  0.814423  0.261137  1
  Ni  Ni73  1  0.083978  0.248512  0.306851  1
  Ni  Ni74  1  0.417257  0.916017  0.307032  1
  Ni  Ni75  1  0.386370  0.219134  0.328658  1
  Ni  Ni76  1  0.749832  0.582570  0.306729  1
  Ni  Ni77  1  0.719628  0.886004  0.328656  1
  Ni  Ni78  1  0.779366  0.280282  0.283540  1
  Ni  Ni79  1  0.052752  0.552627  0.328707  1
  Ni  Ni80  1  0.113488  0.946114  0.283462  1
  Ni  Ni81  1  0.445395  0.612214  0.283461  1
  Ni  Ni82  1  0.915037  0.417453  0.306851  1
  Ni  Ni83  1  0.249095  0.083307  0.306729  1
  Ni  Ni84  1  0.219153  0.386226  0.328707  1
  Ni  Ni85  1  0.582542  0.750732  0.307032  1
  Ni  Ni86  1  0.552530  0.053103  0.328656  1
  Ni  Ni87  1  0.612638  0.446962  0.283462  1
  Ni  Ni88  1  0.885660  0.719844  0.328658  1
  Ni  Ni89  1  0.946807  0.112841  0.283540  1
  Ni  Ni90  1  0.278739  0.778870  0.283461  1
  Ni  Ni91  1  0.021827  0.355302  0.350642  1
  Ni  Ni92  1  0.355035  0.021935  0.350736  1
  Ni  Ni93  1  0.325209  0.325256  0.372977  1
  Ni  Ni94  1  0.688461  0.688509  0.350736  1
  Ni  Ni95  1  0.658644  0.992117  0.372990  1
  Ni  Ni96  1  0.628076  0.294838  0.395025  1
  Ni  Ni97  1  0.991783  0.658682  0.372977  1
  Ni  Ni98  1  0.961365  0.961549  0.395025  1
  Ni  Ni99  1  0.386144  0.719618  0.328383  1
  Ni  Ni100  1  0.991367  0.158583  0.372659  1
  Ni  Ni101  1  0.324617  0.825159  0.372692  1
  Ni  Ni102  1  0.294768  0.128018  0.395172  1
  Ni  Ni103  1  0.657932  0.491833  0.372682  1
  Ni  Ni104  1  0.628172  0.794694  0.395216  1
  Ni  Ni105  1  0.689231  0.188645  0.350557  1
  Ni  Ni106  1  0.961397  0.461346  0.395140  1
  Ni  Ni107  1  0.022422  0.855197  0.350572  1
  Ni  Ni108  1  0.355826  0.521823  0.350613  1
  Ni  Ni109  1  0.825110  0.324840  0.372659  1
  Ni  Ni110  1  0.158360  0.991405  0.372682  1
  Ni  Ni111  1  0.127873  0.294871  0.395140  1
  Ni  Ni112  1  0.491685  0.658090  0.372692  1
  Ni  Ni113  1  0.461220  0.961645  0.395216  1
  Ni  Ni114  1  0.521724  0.355896  0.350572  1
  Ni  Ni115  1  0.794545  0.628241  0.395172  1
  Ni  Ni116  1  0.855172  0.022705  0.350557  1
  Ni  Ni117  1  0.188350  0.689299  0.350613  1
  Ni  Ni118  1  0.930894  0.264366  0.417256  1
  Ni  Ni119  1  0.264200  0.931025  0.417276  1
  Ni  Ni120  1  0.233760  0.233905  0.439549  1
  Ni  Ni121  1  0.597552  0.597673  0.417276  1
  Ni  Ni122  1  0.567114  0.900586  0.439581  1
  Ni  Ni123  1  0.536762  0.203535  0.461806  1
  Ni  Ni124  1  0.900432  0.567233  0.439549  1
  Ni  Ni125  1  0.870063  0.870234  0.461806  1
  Ni  Ni126  1  0.294696  0.628169  0.395051  1
  Ni  Ni127  1  0.900517  0.067309  0.439536  1
  Ni  Ni128  1  0.233842  0.733967  0.439543  1
  Ni  Ni129  1  0.203302  0.036857  0.461735  1
  Ni  Ni130  1  0.567215  0.400593  0.439540  1
  Ni  Ni131  1  0.536669  0.703511  0.461745  1
  Ni  Ni132  1  0.597655  0.097797  0.417383  1
  Ni  Ni133  1  0.869995  0.370168  0.461725  1
  Ni  Ni134  1  0.930909  0.764468  0.417373  1
  Ni  Ni135  1  0.264283  0.431072  0.417369  1
  Ni  Ni136  1  0.733837  0.233989  0.439536  1
  Ni  Ni137  1  0.067121  0.900687  0.439540  1
  Ni  Ni138  1  0.036696  0.203467  0.461725  1
  Ni  Ni139  1  0.400494  0.567314  0.439543  1
  Ni  Ni140  1  0.370038  0.870141  0.461745  1
  Ni  Ni141  1  0.430996  0.264382  0.417373  1
  Ni  Ni142  1  0.703385  0.536774  0.461735  1
  Ni  Ni143  1  0.764324  0.931128  0.417383  1
  Ni  Ni144  1  0.097600  0.597756  0.417369  1
  Ni  Ni145  1  0.839650  0.173122  0.483996  1
  Ni  Ni146  1  0.172957  0.839807  0.483994  1
  Ni  Ni147  1  0.142511  0.142687  0.506201  1
  Ni  Ni148  1  0.506335  0.506429  0.483994  1
  Ni  Ni149  1  0.475883  0.809354  0.506218  1
  Ni  Ni150  1  0.445469  0.112271  0.528456  1
  Ni  Ni151  1  0.809216  0.475983  0.506201  1
  Ni  Ni152  1  0.778800  0.778940  0.528456  1
  Ni  Ni153  1  0.203400  0.536873  0.461786  1
  Ni  Ni154  1  0.809239  0.976067  0.506256  1
  Ni  Ni155  1  0.142543  0.642709  0.506217  1
  Ni  Ni156  1  0.112047  0.945668  0.528446  1
  Ni  Ni157  1  0.475952  0.309320  0.506244  1
  Ni  Ni158  1  0.445485  0.612247  0.528440  1
  Ni  Ni159  1  0.506316  0.006435  0.484020  1
  Ni  Ni160  1  0.778828  0.278916  0.528460  1
  Ni  Ni161  1  0.839635  0.673092  0.484003  1
  Ni  Ni162  1  0.172955  0.339746  0.483984  1
  Ni  Ni163  1  0.642596  0.142710  0.506256  1
  Ni  Ni164  1  0.975848  0.809424  0.506244  1
  Ni  Ni165  1  0.945445  0.112299  0.528460  1
  Ni  Ni166  1  0.309237  0.476014  0.506217  1
  Ni  Ni167  1  0.278776  0.778956  0.528440  1
  Ni  Ni168  1  0.339620  0.173107  0.484003  1
  Ni  Ni169  1  0.612197  0.445518  0.528446  1
  Ni  Ni170  1  0.672964  0.839788  0.484020  1
  Ni  Ni171  1  0.006274  0.506427  0.483984  1
  Ni  Ni172  1  0.748411  0.081882  0.550732  1
  Ni  Ni173  1  0.081644  0.748548  0.550655  1
  Ni  Ni174  1  0.051194  0.051515  0.572939  1
  Ni  Ni175  1  0.415077  0.415114  0.550655  1
  Ni  Ni176  1  0.384640  0.718110  0.572884  1
  Ni  Ni177  1  0.354091  0.021070  0.595077  1
  Ni  Ni178  1  0.718045  0.384665  0.572939  1
  Ni  Ni179  1  0.687600  0.687561  0.595077  1
  Ni  Ni180  1  0.112103  0.445574  0.528413  1
  Ni  Ni181  1  0.717925  0.884864  0.572893  1
  Ni  Ni182  1  0.051170  0.551380  0.572828  1
  Ni  Ni183  1  0.020817  0.854498  0.595133  1
  Ni  Ni184  1  0.384490  0.218112  0.572858  1
  Ni  Ni185  1  0.354262  0.520911  0.595062  1
  Ni  Ni186  1  0.415026  0.915190  0.550670  1
  Ni  Ni187  1  0.687869  0.187670  0.595284  1
  Ni  Ni188  1  0.748438  0.581735  0.550665  1
  Ni  Ni189  1  0.081668  0.248489  0.550660  1
  Ni  Ni190  1  0.551393  0.051395  0.572893  1
  Ni  Ni191  1  0.884642  0.717960  0.572858  1
  Ni  Ni192  1  0.854200  0.021339  0.595284  1
  Ni  Ni193  1  0.217910  0.384640  0.572828  1
  Ni  Ni194  1  0.187440  0.687732  0.595062  1
  Ni  Ni195  1  0.248264  0.081909  0.550665  1
  Ni  Ni196  1  0.521028  0.354287  0.595133  1
  Ni  Ni197  1  0.581719  0.748497  0.550670  1
  Ni  Ni198  1  0.915018  0.415139  0.550660  1
  Ni  Ni199  1  0.657336  0.990805  0.617403  1
  Ni  Ni200  1  0.990400  0.657149  0.617292  1
  Ni  Ni201  1  0.959776  0.960428  0.639738  1
  Ni  Ni202  1  0.323679  0.323869  0.617292  1
  Ni  Ni203  1  0.293413  0.626882  0.639407  1
  Ni  Ni204  1  0.262957  0.929869  0.662126  1
  Ni  Ni205  1  0.626958  0.293245  0.639738  1
  Ni  Ni206  1  0.596400  0.596426  0.662126  1
  Ni  Ni207  1  0.020798  0.354268  0.595114  1
  Ni  Ni208  1  0.627020  0.793209  0.639532  1
  Ni  Ni209  1  0.960317  0.459840  0.639656  1
  Ni  Ni210  1  0.928895  0.763453  0.661543  1
  Ni  Ni211  1  0.293327  0.126593  0.639582  1
  Ni  Ni212  1  0.262317  0.430355  0.661555  1
  Ni  Ni213  1  0.323501  0.824240  0.617274  1
  Ni  Ni214  1  0.595519  0.096805  0.661634  1
  Ni  Ni215  1  0.657106  0.490509  0.617383  1
  Ni  Ni216  1  0.990129  0.157548  0.617459  1
  Ni  Ni217  1  0.459740  0.960489  0.639532  1
  Ni  Ni218  1  0.793124  0.626796  0.639582  1
  Ni  Ni219  1  0.763336  0.928988  0.661634  1
  Ni  Ni220  1  0.126371  0.293786  0.639656  1
  Ni  Ni221  1  0.096886  0.595786  0.661555  1
  Ni  Ni222  1  0.157039  0.990576  0.617383  1
  Ni  Ni223  1  0.429984  0.262364  0.661543  1
  Ni  Ni224  1  0.490770  0.656970  0.617274  1
  Ni  Ni225  1  0.824078  0.323599  0.617459  1
  Ni  Ni226  1  0.564196  0.897665  0.683753  1
  Ni  Ni227  1  0.897661  0.564467  0.683823  1
  Ni  Ni228  1  0.869902  0.869627  0.707376  1
  Ni  Ni229  1  0.230999  0.231130  0.683823  1
  Ni  Ni230  1  0.204770  0.538239  0.707522  1
  Ni  Ni231  1  0.165691  0.831055  0.728275  1
  Ni  Ni232  1  0.536158  0.203371  0.707376  1
  Ni  Ni233  1  0.497588  0.499158  0.728275  1
  Ni  Ni234  1  0.930069  0.263538  0.662352  1
  Ni  Ni235  1  0.533753  0.702084  0.706278  1
  Ni  Ni236  1  0.868531  0.370000  0.706503  1
  Ni  Ni237  1  0.839104  0.672255  0.728123  1
  Ni  Ni238  1  0.201902  0.035099  0.706367  1
  Ni  Ni239  1  0.173849  0.340799  0.728263  1
  Ni  Ni240  1  0.232680  0.732366  0.683698  1
  Ni  Ni241  1  0.503949  0.004639  0.728079  1
  Ni  Ni242  1  0.565502  0.399427  0.683763  1
  Ni  Ni243  1  0.899069  0.066878  0.684643  1
  Ni  Ni244  1  0.368616  0.867220  0.706278  1
  Ni  Ni245  1  0.701631  0.535370  0.706367  1
  Ni  Ni246  1  0.671172  0.837416  0.728079  1
  Ni  Ni247  1  0.036533  0.201998  0.706503  1
  Ni  Ni248  1  0.007332  0.507316  0.728263  1
  Ni  Ni249  1  0.065959  0.898972  0.683763  1
  Ni  Ni250  1  0.338788  0.172571  0.728123  1
  Ni  Ni251  1  0.398897  0.566149  0.683698  1
  Ni  Ni252  1  0.733409  0.232539  0.684643  1
