# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.68394620
_cell_length_b   18.75640835
_cell_length_c   47.49265774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V162 Fe162'
_cell_volume   9369.60843623
_cell_formula_units_Z   162
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
  V  V1  1  0.051820  0.726989  0.275889  1
  V  V2  1  0.576220  0.518842  0.324137  1
  V  V3  1  0.668776  0.710988  0.292418  1
  V  V4  1  0.908351  0.184707  0.324152  1
  V  V5  1  0.003502  0.376855  0.291925  1
  V  V6  1  0.958720  0.529251  0.308513  1
  V  V7  1  0.379004  0.389787  0.276048  1
  V  V8  1  0.337836  0.542596  0.292054  1
  V  V9  1  0.288581  0.697414  0.307274  1
  V  V10  1  0.576231  0.018981  0.324099  1
  V  V11  1  0.669932  0.211086  0.292365  1
  V  V12  1  0.622518  0.363803  0.307775  1
  V  V13  1  0.003522  0.876724  0.291810  1
  V  V14  1  0.959182  0.029776  0.308495  1
  V  V15  1  0.378105  0.889462  0.276122  1
  V  V16  1  0.336942  0.043011  0.292050  1
  V  V17  1  0.289985  0.197365  0.307715  1
  V  V18  1  0.623463  0.863567  0.307678  1
  V  V19  1  0.909395  0.684780  0.323514  1
  V  V20  1  0.433268  0.483579  0.374173  1
  V  V21  1  0.528450  0.674106  0.340669  1
  V  V22  1  0.766532  0.150256  0.374277  1
  V  V23  1  0.861504  0.339991  0.340869  1
  V  V24  1  0.813657  0.495841  0.357438  1
  V  V25  1  0.242554  0.352259  0.324271  1
  V  V26  1  0.195023  0.507917  0.340628  1
  V  V27  1  0.146886  0.662060  0.357382  1
  V  V28  1  0.433588  0.983555  0.374230  1
  V  V29  1  0.528919  0.174095  0.340665  1
  V  V30  1  0.480938  0.328958  0.357451  1
  V  V31  1  0.861001  0.840189  0.340805  1
  V  V32  1  0.813644  0.996004  0.357462  1
  V  V33  1  0.242961  0.852500  0.324273  1
  V  V34  1  0.195712  0.007297  0.340959  1
  V  V35  1  0.146837  0.162354  0.357485  1
  V  V36  1  0.481154  0.829065  0.357434  1
  V  V37  1  0.766745  0.650266  0.374158  1
  V  V38  1  0.290363  0.447889  0.424457  1
  V  V39  1  0.385450  0.638312  0.391029  1
  V  V40  1  0.623643  0.114506  0.424449  1
  V  V41  1  0.718695  0.304939  0.391119  1
  V  V42  1  0.671150  0.459784  0.407731  1
  V  V43  1  0.099838  0.316733  0.374501  1
  V  V44  1  0.052173  0.471710  0.391041  1
  V  V45  1  0.004596  0.626386  0.407722  1
  V  V46  1  0.290458  0.947874  0.424491  1
  V  V47  1  0.385573  0.138358  0.391052  1
  V  V48  1  0.337997  0.293060  0.407728  1
  V  V49  1  0.718724  0.804968  0.391104  1
  V  V50  1  0.671235  0.959787  0.407748  1
  V  V51  1  0.099849  0.816789  0.374530  1
  V  V52  1  0.052182  0.971681  0.391154  1
  V  V53  1  0.004560  0.126426  0.407788  1
  V  V54  1  0.338092  0.793031  0.407746  1
  V  V55  1  0.623639  0.614504  0.424417  1
  V  V56  1  0.147495  0.412162  0.474645  1
  V  V57  1  0.242703  0.602615  0.441177  1
  V  V58  1  0.480857  0.078808  0.474648  1
  V  V59  1  0.575997  0.269276  0.441198  1
  V  V60  1  0.528424  0.424064  0.457902  1
  V  V61  1  0.956903  0.281131  0.424487  1
  V  V62  1  0.909318  0.435957  0.441188  1
  V  V63  1  0.861748  0.590712  0.457893  1
  V  V64  1  0.147521  0.912150  0.474667  1
  V  V65  1  0.242753  0.102622  0.441218  1
  V  V66  1  0.195102  0.257385  0.457920  1
  V  V67  1  0.576045  0.769260  0.441193  1
  V  V68  1  0.528481  0.924055  0.457921  1
  V  V69  1  0.956910  0.781127  0.424489  1
  V  V70  1  0.909330  0.935934  0.441219  1
  V  V71  1  0.861755  0.090709  0.457932  1
  V  V72  1  0.195111  0.757357  0.457907  1
  V  V73  1  0.480823  0.578809  0.474612  1
  V  V74  1  0.004690  0.376450  0.524816  1
  V  V75  1  0.099884  0.566913  0.491352  1
  V  V76  1  0.338016  0.043107  0.524836  1
  V  V77  1  0.433217  0.233577  0.491374  1
  V  V78  1  0.385619  0.388346  0.508083  1
  V  V79  1  0.814150  0.245474  0.474648  1
  V  V80  1  0.766540  0.400250  0.491363  1
  V  V81  1  0.718941  0.555008  0.508066  1
  V  V82  1  0.004698  0.876461  0.524832  1
  V  V83  1  0.099908  0.066909  0.491394  1
  V  V84  1  0.052302  0.221672  0.508100  1
  V  V85  1  0.433211  0.733573  0.491356  1
  V  V86  1  0.385631  0.888352  0.508099  1
  V  V87  1  0.814152  0.745465  0.474631  1
  V  V88  1  0.766558  0.900248  0.491382  1
  V  V89  1  0.718964  0.055005  0.508107  1
  V  V90  1  0.052292  0.721675  0.508079  1
  V  V91  1  0.337983  0.543107  0.524800  1
  V  V92  1  0.861939  0.340780  0.574984  1
  V  V93  1  0.957093  0.531208  0.541530  1
  V  V94  1  0.195185  0.007423  0.575044  1
  V  V95  1  0.290407  0.197861  0.541559  1
  V  V96  1  0.242821  0.352649  0.558264  1
  V  V97  1  0.671360  0.209759  0.524815  1
  V  V98  1  0.623745  0.364533  0.541540  1
  V  V99  1  0.576095  0.519292  0.558242  1
  V  V100  1  0.861950  0.840786  0.574979  1
  V  V101  1  0.957101  0.031205  0.541570  1
  V  V102  1  0.909533  0.185963  0.558281  1
  V  V103  1  0.290361  0.697871  0.541538  1
  V  V104  1  0.242783  0.852668  0.558269  1
  V  V105  1  0.671343  0.709773  0.524791  1
  V  V106  1  0.623744  0.864564  0.541552  1
  V  V107  1  0.576143  0.019300  0.558284  1
  V  V108  1  0.909533  0.685988  0.558248  1
  V  V109  1  0.195182  0.507420  0.575010  1
  V  V110  1  0.719003  0.305145  0.624978  1
  V  V111  1  0.814303  0.495475  0.591678  1
  V  V112  1  0.052136  0.971667  0.625343  1
  V  V113  1  0.147646  0.162155  0.591756  1
  V  V114  1  0.100086  0.316968  0.608370  1
  V  V115  1  0.528539  0.174050  0.574985  1
  V  V116  1  0.480867  0.328864  0.591728  1
  V  V117  1  0.433239  0.483556  0.608429  1
  V  V118  1  0.719023  0.805087  0.624942  1
  V  V119  1  0.814273  0.995514  0.591744  1
  V  V120  1  0.766684  0.150220  0.608424  1
  V  V121  1  0.147575  0.662153  0.591735  1
  V  V122  1  0.100080  0.816940  0.608383  1
  V  V123  1  0.528462  0.674066  0.574950  1
  V  V124  1  0.480784  0.828896  0.591708  1
  V  V125  1  0.433356  0.983605  0.608451  1
  V  V126  1  0.766704  0.650253  0.608308  1
  V  V127  1  0.052334  0.471682  0.625220  1
  V  V128  1  0.576332  0.269811  0.675207  1
  V  V129  1  0.671913  0.459507  0.641974  1
  V  V130  1  0.909361  0.937075  0.675955  1
  V  V131  1  0.004728  0.126210  0.642052  1
  V  V132  1  0.957076  0.281784  0.658645  1
  V  V133  1  0.385850  0.138365  0.625075  1
  V  V134  1  0.337947  0.293201  0.641901  1
  V  V135  1  0.289946  0.447590  0.658825  1
  V  V136  1  0.575979  0.769594  0.675195  1
  V  V137  1  0.671872  0.959807  0.642072  1
  V  V138  1  0.624281  0.113915  0.658742  1
  V  V139  1  0.004770  0.626051  0.642031  1
  V  V140  1  0.957636  0.781578  0.658705  1
  V  V141  1  0.385569  0.638387  0.625011  1
  V  V142  1  0.337754  0.793106  0.641919  1
  V  V143  1  0.290446  0.947580  0.658830  1
  V  V144  1  0.623645  0.614536  0.658415  1
  V  V145  1  0.910376  0.437173  0.675314  1
  V  V146  1  0.437994  0.231606  0.723946  1
  V  V147  1  0.528524  0.424293  0.691738  1
  V  V148  1  0.766615  0.894833  0.723572  1
  V  V149  1  0.859615  0.092666  0.690936  1
  V  V150  1  0.814949  0.244997  0.707519  1
  V  V151  1  0.242689  0.103126  0.675258  1
  V  V152  1  0.196509  0.257916  0.692080  1
  V  V153  1  0.148189  0.411228  0.707063  1
  V  V154  1  0.438546  0.731809  0.723897  1
  V  V155  1  0.530013  0.924226  0.692161  1
  V  V156  1  0.481114  0.079195  0.707780  1
  V  V157  1  0.859164  0.592164  0.690960  1
  V  V158  1  0.814936  0.745146  0.707633  1
  V  V159  1  0.242741  0.602962  0.675275  1
  V  V160  1  0.195599  0.758093  0.692201  1
  V  V161  1  0.149447  0.911308  0.707007  1
  V  V162  1  0.481979  0.578777  0.707786  1
  Fe  Fe163  1  0.742098  0.602718  0.324475  1
  Fe  Fe164  1  0.409296  0.436096  0.324225  1
  Fe  Fe165  1  0.501827  0.627103  0.293119  1
  Fe  Fe166  1  0.742601  0.102899  0.324405  1
  Fe  Fe167  1  0.834877  0.293333  0.293141  1
  Fe  Fe168  1  0.793069  0.445998  0.309008  1
  Fe  Fe169  1  0.217105  0.308437  0.276958  1
  Fe  Fe170  1  0.170672  0.458410  0.292318  1
  Fe  Fe171  1  0.124134  0.615177  0.307801  1
  Fe  Fe172  1  0.409754  0.936170  0.324168  1
  Fe  Fe173  1  0.501166  0.127300  0.293056  1
  Fe  Fe174  1  0.455879  0.281436  0.307683  1
  Fe  Fe175  1  0.838530  0.792437  0.292394  1
  Fe  Fe176  1  0.792664  0.946591  0.309061  1
  Fe  Fe177  1  0.214769  0.807110  0.276388  1
  Fe  Fe178  1  0.171019  0.959231  0.292435  1
  Fe  Fe179  1  0.125663  0.113157  0.308953  1
  Fe  Fe180  1  0.456245  0.781641  0.307767  1
  Fe  Fe181  1  0.599799  0.566881  0.374105  1
  Fe  Fe182  1  0.266444  0.400250  0.374422  1
  Fe  Fe183  1  0.362111  0.591034  0.340703  1
  Fe  Fe184  1  0.599841  0.066865  0.374119  1
  Fe  Fe185  1  0.695232  0.257319  0.340813  1
  Fe  Fe186  1  0.647704  0.412188  0.357432  1
  Fe  Fe187  1  0.075652  0.269364  0.324279  1
  Fe  Fe188  1  0.028055  0.423437  0.340913  1
  Fe  Fe189  1  0.980549  0.578711  0.357448  1
  Fe  Fe190  1  0.266667  0.900097  0.374480  1
  Fe  Fe191  1  0.362019  0.091109  0.340719  1
  Fe  Fe192  1  0.313774  0.245224  0.357387  1
  Fe  Fe193  1  0.694928  0.757286  0.340840  1
  Fe  Fe194  1  0.647795  0.912244  0.357391  1
  Fe  Fe195  1  0.075740  0.769625  0.324362  1
  Fe  Fe196  1  0.027935  0.923946  0.341020  1
  Fe  Fe197  1  0.980736  0.078802  0.357503  1
  Fe  Fe198  1  0.314179  0.745229  0.357475  1
  Fe  Fe199  1  0.456981  0.531197  0.424415  1
  Fe  Fe200  1  0.123632  0.364561  0.424502  1
  Fe  Fe201  1  0.218891  0.555039  0.391002  1
  Fe  Fe202  1  0.457060  0.031209  0.424454  1
  Fe  Fe203  1  0.552039  0.221657  0.391045  1
  Fe  Fe204  1  0.504561  0.376464  0.407721  1
  Fe  Fe205  1  0.933231  0.233338  0.374177  1
  Fe  Fe206  1  0.885346  0.388305  0.391072  1
  Fe  Fe207  1  0.837826  0.543120  0.407717  1
  Fe  Fe208  1  0.123666  0.864511  0.424528  1
  Fe  Fe209  1  0.219015  0.055068  0.391092  1
  Fe  Fe210  1  0.171303  0.209695  0.407773  1
  Fe  Fe211  1  0.552134  0.721621  0.391010  1
  Fe  Fe212  1  0.504703  0.876435  0.407738  1
  Fe  Fe213  1  0.933034  0.733346  0.374262  1
  Fe  Fe214  1  0.885354  0.888287  0.391054  1
  Fe  Fe215  1  0.837855  0.043088  0.407776  1
  Fe  Fe216  1  0.171251  0.709671  0.407708  1
  Fe  Fe217  1  0.314165  0.495484  0.474627  1
  Fe  Fe218  1  0.980820  0.328817  0.474651  1
  Fe  Fe219  1  0.076035  0.519289  0.441174  1
  Fe  Fe220  1  0.314208  0.995482  0.474659  1
  Fe  Fe221  1  0.409390  0.185946  0.441201  1
  Fe  Fe222  1  0.361771  0.340724  0.457909  1
  Fe  Fe223  1  0.790278  0.197829  0.424488  1
  Fe  Fe224  1  0.742647  0.352639  0.441209  1
  Fe  Fe225  1  0.695078  0.507395  0.457894  1
  Fe  Fe226  1  0.980834  0.828806  0.474660  1
  Fe  Fe227  1  0.076076  0.019295  0.441233  1
  Fe  Fe228  1  0.028445  0.174036  0.457944  1
  Fe  Fe229  1  0.409391  0.685931  0.441174  1
  Fe  Fe230  1  0.361814  0.840715  0.457920  1
  Fe  Fe231  1  0.790293  0.697801  0.424432  1
  Fe  Fe232  1  0.742689  0.852624  0.441213  1
  Fe  Fe233  1  0.695100  0.007388  0.457929  1
  Fe  Fe234  1  0.028429  0.674025  0.457906  1
  Fe  Fe235  1  0.171352  0.459789  0.524814  1
  Fe  Fe236  1  0.838031  0.293104  0.524813  1
  Fe  Fe237  1  0.933218  0.483583  0.491355  1
  Fe  Fe238  1  0.171354  0.959792  0.524844  1
  Fe  Fe239  1  0.266571  0.150245  0.491385  1
  Fe  Fe240  1  0.218963  0.305012  0.508091  1
  Fe  Fe241  1  0.647489  0.162132  0.474648  1
  Fe  Fe242  1  0.599876  0.316910  0.491371  1
  Fe  Fe243  1  0.552269  0.471676  0.508077  1
  Fe  Fe244  1  0.838028  0.793117  0.524802  1
  Fe  Fe245  1  0.933231  0.983580  0.491388  1
  Fe  Fe246  1  0.885633  0.138337  0.508108  1
  Fe  Fe247  1  0.266551  0.650243  0.491357  1
  Fe  Fe248  1  0.218961  0.805011  0.508088  1
  Fe  Fe249  1  0.647491  0.662130  0.474618  1
  Fe  Fe250  1  0.599886  0.816913  0.491372  1
  Fe  Fe251  1  0.552294  0.971680  0.508104  1
  Fe  Fe252  1  0.885624  0.638341  0.508073  1
  Fe  Fe253  1  0.028547  0.424094  0.574988  1
  Fe  Fe254  1  0.695238  0.257368  0.574956  1
  Fe  Fe255  1  0.790403  0.447880  0.541521  1
  Fe  Fe256  1  0.028542  0.924123  0.575044  1
  Fe  Fe257  1  0.123747  0.114531  0.541571  1
  Fe  Fe258  1  0.076171  0.269288  0.558258  1
  Fe  Fe259  1  0.504686  0.126433  0.524822  1
  Fe  Fe260  1  0.457070  0.281209  0.541541  1
  Fe  Fe261  1  0.409447  0.435975  0.558258  1
  Fe  Fe262  1  0.695220  0.757419  0.574926  1
  Fe  Fe263  1  0.790425  0.947893  0.541558  1
  Fe  Fe264  1  0.742847  0.102620  0.558280  1
  Fe  Fe265  1  0.123731  0.614538  0.541534  1
  Fe  Fe266  1  0.076143  0.769305  0.558252  1
  Fe  Fe267  1  0.504650  0.626436  0.524789  1
  Fe  Fe268  1  0.457037  0.781221  0.541529  1
  Fe  Fe269  1  0.409449  0.935992  0.558285  1
  Fe  Fe270  1  0.742813  0.602614  0.558221  1
  Fe  Fe271  1  0.885621  0.388528  0.625308  1
  Fe  Fe272  1  0.552370  0.221670  0.625057  1
  Fe  Fe273  1  0.647555  0.412206  0.591687  1
  Fe  Fe274  1  0.885848  0.888521  0.625221  1
  Fe  Fe275  1  0.981023  0.078794  0.591756  1
  Fe  Fe276  1  0.933525  0.233628  0.608407  1
  Fe  Fe277  1  0.361838  0.090697  0.575009  1
  Fe  Fe278  1  0.314214  0.245499  0.591723  1
  Fe  Fe279  1  0.266709  0.400297  0.608413  1
  Fe  Fe280  1  0.552174  0.721827  0.624995  1
  Fe  Fe281  1  0.647618  0.912232  0.591749  1
  Fe  Fe282  1  0.600003  0.066830  0.608442  1
  Fe  Fe283  1  0.981000  0.578828  0.591695  1
  Fe  Fe284  1  0.933545  0.733645  0.608423  1
  Fe  Fe285  1  0.361770  0.590684  0.574966  1
  Fe  Fe286  1  0.314090  0.745531  0.591704  1
  Fe  Fe287  1  0.266624  0.900336  0.608451  1
  Fe  Fe288  1  0.599892  0.566801  0.608353  1
  Fe  Fe289  1  0.743062  0.352555  0.675213  1
  Fe  Fe290  1  0.409352  0.185774  0.675365  1
  Fe  Fe291  1  0.505011  0.376699  0.642079  1
  Fe  Fe292  1  0.743021  0.852277  0.675104  1
  Fe  Fe293  1  0.838318  0.043123  0.642003  1
  Fe  Fe294  1  0.790828  0.198460  0.658581  1
  Fe  Fe295  1  0.218988  0.055027  0.625316  1
  Fe  Fe296  1  0.171248  0.209793  0.642104  1
  Fe  Fe297  1  0.123469  0.364548  0.658674  1
  Fe  Fe298  1  0.408987  0.685704  0.675404  1
  Fe  Fe299  1  0.504624  0.876699  0.641989  1
  Fe  Fe300  1  0.456715  0.030973  0.658821  1
  Fe  Fe301  1  0.838132  0.543044  0.641948  1
  Fe  Fe302  1  0.790992  0.697961  0.658477  1
  Fe  Fe303  1  0.218958  0.555043  0.625296  1
  Fe  Fe304  1  0.171201  0.709734  0.642139  1
  Fe  Fe305  1  0.123811  0.864569  0.658651  1
  Fe  Fe306  1  0.456859  0.530885  0.658810  1
  Fe  Fe307  1  0.601270  0.313243  0.722521  1
  Fe  Fe308  1  0.275905  0.151387  0.722639  1
  Fe  Fe309  1  0.362660  0.340493  0.691849  1
  Fe  Fe310  1  0.603717  0.814650  0.723105  1
  Fe  Fe311  1  0.694820  0.006567  0.691622  1
  Fe  Fe312  1  0.647546  0.163616  0.707132  1
  Fe  Fe313  1  0.076631  0.019320  0.675027  1
  Fe  Fe314  1  0.028105  0.175609  0.690968  1
  Fe  Fe315  1  0.983646  0.328524  0.706400  1
  Fe  Fe316  1  0.276740  0.651414  0.722560  1
  Fe  Fe317  1  0.362349  0.840260  0.691772  1
  Fe  Fe318  1  0.315979  0.996287  0.706704  1
  Fe  Fe319  1  0.693308  0.508628  0.690471  1
  Fe  Fe320  1  0.647129  0.662858  0.707015  1
  Fe  Fe321  1  0.076115  0.519142  0.675090  1
  Fe  Fe322  1  0.028599  0.674997  0.690908  1
  Fe  Fe323  1  0.979990  0.829413  0.707136  1
  Fe  Fe324  1  0.316733  0.496090  0.706739  1
