# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78274900
_cell_length_b   12.46188725
_cell_length_c   48.73343282
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe60 Ni180'
_cell_volume   5465.07843254
_cell_formula_units_Z   60
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  0.285416  0.089827  0.289772  1
  Fe  Fe2  1  0.784649  0.089839  0.289771  1
  Fe  Fe3  1  0.419821  0.360373  0.320107  1
  Fe  Fe4  1  0.852360  0.724517  0.304774  1
  Fe  Fe5  1  0.217185  0.454181  0.275075  1
  Fe  Fe6  1  0.351957  0.723709  0.304563  1
  Fe  Fe7  1  0.988632  0.997110  0.334714  1
  Fe  Fe8  1  0.488666  0.997179  0.334702  1
  Fe  Fe9  1  0.125055  0.270004  0.365315  1
  Fe  Fe10  1  0.557605  0.634089  0.350074  1
  Fe  Fe11  1  0.920724  0.360376  0.320107  1
  Fe  Fe12  1  0.056612  0.634088  0.350075  1
  Fe  Fe13  1  0.693060  0.906165  0.380284  1
  Fe  Fe14  1  0.193187  0.906164  0.380285  1
  Fe  Fe15  1  0.829442  0.178825  0.410688  1
  Fe  Fe16  1  0.261428  0.542795  0.395669  1
  Fe  Fe17  1  0.625204  0.270301  0.365250  1
  Fe  Fe18  1  0.761407  0.542754  0.395585  1
  Fe  Fe19  1  0.397680  0.815343  0.425796  1
  Fe  Fe20  1  0.897700  0.815385  0.425820  1
  Fe  Fe21  1  0.533950  0.087932  0.456107  1
  Fe  Fe22  1  0.965853  0.451708  0.441013  1
  Fe  Fe23  1  0.329420  0.178825  0.410688  1
  Fe  Fe24  1  0.465848  0.451709  0.441012  1
  Fe  Fe25  1  0.102131  0.724348  0.471299  1
  Fe  Fe26  1  0.602164  0.724348  0.471299  1
  Fe  Fe27  1  0.238458  0.996991  0.501605  1
  Fe  Fe28  1  0.670250  0.360578  0.486436  1
  Fe  Fe29  1  0.033929  0.087891  0.456117  1
  Fe  Fe30  1  0.170246  0.360570  0.486457  1
  Fe  Fe31  1  0.806575  0.633273  0.516720  1
  Fe  Fe32  1  0.306569  0.633260  0.516733  1
  Fe  Fe33  1  0.942926  0.906019  0.547050  1
  Fe  Fe34  1  0.374702  0.269592  0.531907  1
  Fe  Fe35  1  0.738435  0.996991  0.501605  1
  Fe  Fe36  1  0.874744  0.269592  0.531907  1
  Fe  Fe37  1  0.510959  0.542082  0.562152  1
  Fe  Fe38  1  0.010930  0.542082  0.562152  1
  Fe  Fe39  1  0.647367  0.814976  0.592453  1
  Fe  Fe40  1  0.079243  0.178697  0.577447  1
  Fe  Fe41  1  0.442919  0.906006  0.547046  1
  Fe  Fe42  1  0.579275  0.178762  0.577456  1
  Fe  Fe43  1  0.215409  0.451078  0.607667  1
  Fe  Fe44  1  0.715378  0.451019  0.607564  1
  Fe  Fe45  1  0.351660  0.723625  0.637703  1
  Fe  Fe46  1  0.783719  0.087763  0.622865  1
  Fe  Fe47  1  0.147373  0.814976  0.592453  1
  Fe  Fe48  1  0.283760  0.087762  0.622866  1
  Fe  Fe49  1  0.920548  0.360223  0.653394  1
  Fe  Fe50  1  0.419355  0.360222  0.653395  1
  Fe  Fe51  1  0.055883  0.633238  0.682919  1
  Fe  Fe52  1  0.488120  0.996595  0.668424  1
  Fe  Fe53  1  0.851746  0.723798  0.637722  1
  Fe  Fe54  1  0.988095  0.996545  0.668428  1
  Fe  Fe55  1  0.624615  0.269647  0.698524  1
  Fe  Fe56  1  0.124424  0.269266  0.698384  1
  Fe  Fe57  1  0.760632  0.541634  0.728039  1
  Fe  Fe58  1  0.191920  0.903311  0.713317  1
  Fe  Fe59  1  0.556991  0.633240  0.682919  1
  Fe  Fe60  1  0.690967  0.903322  0.713316  1
  Ni  Ni61  1  0.751800  0.273117  0.281979  1
  Ni  Ni62  1  0.251105  0.271553  0.281673  1
  Ni  Ni63  1  0.885112  0.541922  0.312041  1
  Ni  Ni64  1  0.318387  0.906320  0.296601  1
  Ni  Ni65  1  0.386334  0.542800  0.312697  1
  Ni  Ni66  1  0.818194  0.906453  0.296611  1
  Ni  Ni67  1  0.534699  0.089163  0.289137  1
  Ni  Ni68  1  0.034459  0.088687  0.289128  1
  Ni  Ni69  1  0.968628  0.454408  0.275457  1
  Ni  Ni70  1  0.101341  0.722299  0.303761  1
  Ni  Ni71  1  0.465964  0.454394  0.275456  1
  Ni  Ni72  1  0.601157  0.722297  0.303760  1
  Ni  Ni73  1  0.501503  0.273088  0.281980  1
  Ni  Ni74  1  1.000663  0.271560  0.281673  1
  Ni  Ni75  1  0.636991  0.541921  0.312038  1
  Ni  Ni76  1  0.068474  0.906448  0.296612  1
  Ni  Ni77  1  0.136648  0.542805  0.312697  1
  Ni  Ni78  1  0.568158  0.906323  0.296600  1
  Ni  Ni79  1  0.454990  0.179238  0.327457  1
  Ni  Ni80  1  0.954991  0.179168  0.327399  1
  Ni  Ni81  1  0.590975  0.452063  0.357734  1
  Ni  Ni82  1  0.023271  0.815595  0.342305  1
  Ni  Ni83  1  0.091118  0.452041  0.357833  1
  Ni  Ni84  1  0.523029  0.815353  0.342238  1
  Ni  Ni85  1  0.238725  0.997159  0.334853  1
  Ni  Ni86  1  0.738590  0.997163  0.334852  1
  Ni  Ni87  1  0.670687  0.361209  0.319684  1
  Ni  Ni88  1  0.807035  0.633944  0.350209  1
  Ni  Ni89  1  0.170376  0.360583  0.319962  1
  Ni  Ni90  1  0.307165  0.634199  0.350311  1
  Ni  Ni91  1  0.204344  0.179167  0.327399  1
  Ni  Ni92  1  0.704416  0.179243  0.327456  1
  Ni  Ni93  1  0.341039  0.452040  0.357833  1
  Ni  Ni94  1  0.772464  0.815595  0.342304  1
  Ni  Ni95  1  0.841202  0.452061  0.357735  1
  Ni  Ni96  1  0.272464  0.815350  0.342238  1
  Ni  Ni97  1  0.158947  0.087921  0.372745  1
  Ni  Ni98  1  0.658908  0.087996  0.372752  1
  Ni  Ni99  1  0.295433  0.360837  0.403186  1
  Ni  Ni100  1  0.727412  0.724676  0.387962  1
  Ni  Ni101  1  0.795483  0.360876  0.403153  1
  Ni  Ni102  1  0.227230  0.724611  0.387945  1
  Ni  Ni103  1  0.943137  0.906191  0.380243  1
  Ni  Ni104  1  0.443089  0.906096  0.380205  1
  Ni  Ni105  1  0.374929  0.269825  0.365358  1
  Ni  Ni106  1  0.511489  0.542865  0.395574  1
  Ni  Ni107  1  0.875003  0.269825  0.365358  1
  Ni  Ni108  1  0.011437  0.542865  0.395575  1
  Ni  Ni109  1  0.909068  0.087921  0.372745  1
  Ni  Ni110  1  0.409180  0.087994  0.372752  1
  Ni  Ni111  1  0.045453  0.360838  0.403186  1
  Ni  Ni112  1  0.477456  0.724613  0.387944  1
  Ni  Ni113  1  0.545443  0.360877  0.403153  1
  Ni  Ni114  1  0.977336  0.724676  0.387962  1
  Ni  Ni115  1  0.863519  0.997020  0.418201  1
  Ni  Ni116  1  0.363579  0.997038  0.418194  1
  Ni  Ni117  1  0.999855  0.269744  0.448575  1
  Ni  Ni118  1  0.431851  0.633603  0.433447  1
  Ni  Ni119  1  0.499861  0.269769  0.448560  1
  Ni  Ni120  1  0.931778  0.633576  0.433430  1
  Ni  Ni121  1  0.647695  0.815373  0.425824  1
  Ni  Ni122  1  0.147693  0.815373  0.425824  1
  Ni  Ni123  1  0.079441  0.178847  0.410680  1
  Ni  Ni124  1  0.215824  0.451657  0.441047  1
  Ni  Ni125  1  0.579499  0.178961  0.410654  1
  Ni  Ni126  1  0.715831  0.451670  0.441010  1
  Ni  Ni127  1  0.613484  0.997038  0.418193  1
  Ni  Ni128  1  0.113526  0.997020  0.418201  1
  Ni  Ni129  1  0.749887  0.269769  0.448560  1
  Ni  Ni130  1  0.181757  0.633603  0.433447  1
  Ni  Ni131  1  0.249868  0.269744  0.448575  1
  Ni  Ni132  1  0.681801  0.633576  0.433430  1
  Ni  Ni133  1  0.568040  0.906148  0.463700  1
  Ni  Ni134  1  0.068067  0.906154  0.463709  1
  Ni  Ni135  1  0.704333  0.178766  0.494018  1
  Ni  Ni136  1  0.136198  0.542475  0.478880  1
  Ni  Ni137  1  0.204321  0.178750  0.494022  1
  Ni  Ni138  1  0.636207  0.542471  0.478867  1
  Ni  Ni139  1  0.352156  0.724365  0.471291  1
  Ni  Ni140  1  0.852155  0.724363  0.471289  1
  Ni  Ni141  1  0.783918  0.087884  0.456125  1
  Ni  Ni142  1  0.920256  0.360580  0.486441  1
  Ni  Ni143  1  0.283934  0.087884  0.456125  1
  Ni  Ni144  1  0.420247  0.360581  0.486441  1
  Ni  Ni145  1  0.318066  0.906148  0.463700  1
  Ni  Ni146  1  0.818046  0.906155  0.463709  1
  Ni  Ni147  1  0.454344  0.178766  0.494018  1
  Ni  Ni148  1  0.886199  0.542471  0.478867  1
  Ni  Ni149  1  0.954340  0.178750  0.494022  1
  Ni  Ni150  1  0.386212  0.542475  0.478880  1
  Ni  Ni151  1  0.272529  0.815155  0.509166  1
  Ni  Ni152  1  0.772534  0.815166  0.509168  1
  Ni  Ni153  1  0.408880  0.087874  0.539513  1
  Ni  Ni154  1  0.840608  0.451365  0.524296  1
  Ni  Ni155  1  0.908856  0.087854  0.539512  1
  Ni  Ni156  1  0.340604  0.451369  0.524312  1
  Ni  Ni157  1  0.056562  0.633260  0.516731  1
  Ni  Ni158  1  0.556575  0.633259  0.516731  1
  Ni  Ni159  1  0.488454  0.997008  0.501595  1
  Ni  Ni160  1  0.624709  0.269564  0.531913  1
  Ni  Ni161  1  0.988450  0.996998  0.501601  1
  Ni  Ni162  1  0.124707  0.269560  0.531925  1
  Ni  Ni163  1  0.022522  0.815166  0.509168  1
  Ni  Ni164  1  0.522516  0.815155  0.509166  1
  Ni  Ni165  1  0.158842  0.087854  0.539512  1
  Ni  Ni166  1  0.590621  0.451365  0.524296  1
  Ni  Ni167  1  0.658838  0.087874  0.539513  1
  Ni  Ni168  1  0.090629  0.451369  0.524312  1
  Ni  Ni169  1  0.976962  0.724083  0.554583  1
  Ni  Ni170  1  0.476958  0.724057  0.554588  1
  Ni  Ni171  1  0.113343  0.996895  0.584959  1
  Ni  Ni172  1  0.545005  0.360321  0.569776  1
  Ni  Ni173  1  0.613316  0.996918  0.584957  1
  Ni  Ni174  1  0.045088  0.360347  0.569803  1
  Ni  Ni175  1  0.760972  0.542137  0.562130  1
  Ni  Ni176  1  0.260959  0.542111  0.562165  1
  Ni  Ni177  1  0.192939  0.906025  0.547051  1
  Ni  Ni178  1  0.329245  0.178741  0.577424  1
  Ni  Ni179  1  0.692919  0.906025  0.547051  1
  Ni  Ni180  1  0.829284  0.178741  0.577424  1
  Ni  Ni181  1  0.726942  0.724083  0.554583  1
  Ni  Ni182  1  0.226920  0.724058  0.554588  1
  Ni  Ni183  1  0.863328  0.996895  0.584958  1
  Ni  Ni184  1  0.295056  0.360347  0.569803  1
  Ni  Ni185  1  0.363378  0.996918  0.584957  1
  Ni  Ni186  1  0.795112  0.360321  0.569776  1
  Ni  Ni187  1  0.681306  0.632880  0.599954  1
  Ni  Ni188  1  0.181217  0.632822  0.599971  1
  Ni  Ni189  1  0.817857  0.905932  0.630371  1
  Ni  Ni190  1  0.249515  0.269535  0.615398  1
  Ni  Ni191  1  0.317932  0.905943  0.630347  1
  Ni  Ni192  1  0.749770  0.269583  0.615392  1
  Ni  Ni193  1  0.465312  0.450933  0.607660  1
  Ni  Ni194  1  0.965361  0.450933  0.607660  1
  Ni  Ni195  1  0.897388  0.815013  0.592439  1
  Ni  Ni196  1  0.033676  0.087633  0.622920  1
  Ni  Ni197  1  0.397361  0.814958  0.592431  1
  Ni  Ni198  1  0.533753  0.087788  0.622940  1
  Ni  Ni199  1  0.431355  0.632821  0.599971  1
  Ni  Ni200  1  0.931325  0.632880  0.599954  1
  Ni  Ni201  1  0.567717  0.905943  0.630347  1
  Ni  Ni202  1  0.999752  0.269535  0.615397  1
  Ni  Ni203  1  0.067780  0.905931  0.630371  1
  Ni  Ni204  1  0.499542  0.269582  0.615392  1
  Ni  Ni205  1  0.385767  0.541568  0.645454  1
  Ni  Ni206  1  0.885533  0.541542  0.645350  1
  Ni  Ni207  1  0.521884  0.814685  0.675530  1
  Ni  Ni208  1  0.953740  0.178189  0.660832  1
  Ni  Ni209  1  0.021877  0.814681  0.675633  1
  Ni  Ni210  1  0.453803  0.178385  0.660870  1
  Ni  Ni211  1  0.170387  0.361093  0.653422  1
  Ni  Ni212  1  0.670095  0.360514  0.653224  1
  Ni  Ni213  1  0.601808  0.723862  0.637744  1
  Ni  Ni214  1  0.738125  0.996686  0.668285  1
  Ni  Ni215  1  0.101748  0.723862  0.637743  1
  Ni  Ni216  1  0.238203  0.996683  0.668285  1
  Ni  Ni217  1  0.135486  0.541567  0.645454  1
  Ni  Ni218  1  0.635694  0.541541  0.645351  1
  Ni  Ni219  1  0.272436  0.814685  0.675531  1
  Ni  Ni220  1  0.704237  0.178388  0.660869  1
  Ni  Ni221  1  0.772439  0.814685  0.675633  1
  Ni  Ni222  1  0.204106  0.178190  0.660833  1
  Ni  Ni223  1  0.091438  0.453566  0.692114  1
  Ni  Ni224  1  0.589341  0.451811  0.691218  1
  Ni  Ni225  1  0.224214  0.719600  0.720539  1
  Ni  Ni226  1  0.657885  0.086733  0.706567  1
  Ni  Ni227  1  0.723769  0.720972  0.721072  1
  Ni  Ni228  1  0.157989  0.086624  0.706564  1
  Ni  Ni229  1  0.874735  0.269825  0.699124  1
  Ni  Ni230  1  0.374677  0.269828  0.699124  1
  Ni  Ni231  1  0.306367  0.633097  0.682928  1
  Ni  Ni232  1  0.441357  0.903141  0.713970  1
  Ni  Ni233  1  0.806528  0.633421  0.682880  1
  Ni  Ni234  1  0.941560  0.903542  0.714004  1
  Ni  Ni235  1  0.842091  0.451808  0.691214  1
  Ni  Ni236  1  0.341753  0.453570  0.692114  1
  Ni  Ni237  1  0.976804  0.720951  0.721073  1
  Ni  Ni238  1  0.408418  0.086728  0.706567  1
  Ni  Ni239  1  0.475010  0.719612  0.720540  1
  Ni  Ni240  1  0.908213  0.086624  0.706563  1
