# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.68815074
_cell_length_b   10.69447694
_cell_length_c   47.38716064
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V90 Fe90'
_cell_volume   5153.77160943
_cell_formula_units_Z   90
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  0.782472  0.113683  0.281884  1
  V  V2  1  0.113749  0.782398  0.281882  1
  V  V3  1  0.031958  0.031856  0.310310  1
  V  V4  1  0.402715  0.074457  0.296059  1
  V  V5  1  0.736899  0.736814  0.296646  1
  V  V6  1  0.074509  0.402645  0.296062  1
  V  V7  1  0.444581  0.444516  0.281376  1
  V  V8  1  0.365478  0.698985  0.310068  1
  V  V9  1  0.699090  0.365380  0.310069  1
  V  V10  1  0.660926  0.993372  0.324455  1
  V  V11  1  0.993467  0.660844  0.324456  1
  V  V12  1  0.914865  0.914758  0.355344  1
  V  V13  1  0.288318  0.954481  0.340396  1
  V  V14  1  0.621401  0.621299  0.340324  1
  V  V15  1  0.954575  0.288219  0.340399  1
  V  V16  1  0.327594  0.327498  0.325171  1
  V  V17  1  0.248065  0.582261  0.355474  1
  V  V18  1  0.582368  0.247956  0.355475  1
  V  V19  1  0.543394  0.876473  0.370711  1
  V  V20  1  0.876585  0.543282  0.370712  1
  V  V21  1  0.797877  0.797747  0.401259  1
  V  V22  1  0.170299  0.836975  0.386154  1
  V  V23  1  0.503670  0.503552  0.386102  1
  V  V24  1  0.837096  0.170178  0.386155  1
  V  V25  1  0.209765  0.209649  0.370997  1
  V  V26  1  0.131188  0.464507  0.401260  1
  V  V27  1  0.464638  0.131056  0.401260  1
  V  V28  1  0.425394  0.758545  0.416441  1
  V  V29  1  0.758682  0.425257  0.416441  1
  V  V30  1  0.680253  0.680100  0.446855  1
  V  V31  1  0.052745  0.719304  0.431646  1
  V  V32  1  0.386131  0.385986  0.431672  1
  V  V33  1  0.719450  0.052599  0.431646  1
  V  V34  1  0.092006  0.091866  0.416487  1
  V  V35  1  0.013576  0.346799  0.446865  1
  V  V36  1  0.346953  0.013422  0.446865  1
  V  V37  1  0.307701  0.640900  0.462054  1
  V  V38  1  0.641061  0.307540  0.462054  1
  V  V39  1  0.562626  0.562450  0.492474  1
  V  V40  1  0.935172  0.601681  0.477264  1
  V  V41  1  0.268516  0.268347  0.477293  1
  V  V42  1  0.601850  0.935003  0.477264  1
  V  V43  1  0.974360  0.974199  0.462051  1
  V  V44  1  0.895972  0.229119  0.492484  1
  V  V45  1  0.229296  0.895795  0.492484  1
  V  V46  1  0.190098  0.523256  0.507692  1
  V  V47  1  0.523441  0.189913  0.507692  1
  V  V48  1  0.445002  0.444801  0.538110  1
  V  V49  1  0.817564  0.484023  0.522886  1
  V  V50  1  0.150897  0.150704  0.522915  1
  V  V51  1  0.484216  0.817371  0.522886  1
  V  V52  1  0.856766  0.856582  0.507681  1
  V  V53  1  0.778376  0.111483  0.538113  1
  V  V54  1  0.111683  0.778175  0.538113  1
  V  V55  1  0.072506  0.405586  0.553321  1
  V  V56  1  0.405795  0.072297  0.553321  1
  V  V57  1  0.327354  0.327128  0.583759  1
  V  V58  1  0.699962  0.366369  0.568508  1
  V  V59  1  0.033322  0.033105  0.568534  1
  V  V60  1  0.366586  0.699745  0.568508  1
  V  V61  1  0.739143  0.738935  0.553306  1
  V  V62  1  0.660707  0.993864  0.583711  1
  V  V63  1  0.994088  0.660484  0.583710  1
  V  V64  1  0.954937  0.287924  0.598938  1
  V  V65  1  0.288156  0.954705  0.598939  1
  V  V66  1  0.209455  0.209204  0.629524  1
  V  V67  1  0.582399  0.248692  0.614083  1
  V  V68  1  0.915687  0.915449  0.614019  1
  V  V69  1  0.248933  0.582158  0.614082  1
  V  V70  1  0.621499  0.621269  0.598923  1
  V  V71  1  0.542949  0.876165  0.629230  1
  V  V72  1  0.876414  0.542701  0.629229  1
  V  V73  1  0.838066  0.170192  0.644684  1
  V  V74  1  0.170445  0.837812  0.644684  1
  V  V75  1  0.092301  0.092021  0.675712  1
  V  V76  1  0.464424  0.131214  0.659905  1
  V  V77  1  0.798099  0.797834  0.659751  1
  V  V78  1  0.131477  0.464168  0.659902  1
  V  V79  1  0.503864  0.503611  0.644536  1
  V  V80  1  0.424939  0.758568  0.675005  1
  V  V81  1  0.758834  0.424664  0.675004  1
  V  V82  1  0.720917  0.053774  0.689944  1
  V  V83  1  0.054024  0.720657  0.689943  1
  V  V84  1  0.970961  0.970683  0.718265  1
  V  V85  1  0.350638  0.011381  0.704211  1
  V  V86  1  0.679920  0.679606  0.704627  1
  V  V87  1  0.011691  0.350351  0.704208  1
  V  V88  1  0.387051  0.386789  0.690185  1
  V  V89  1  0.306949  0.641803  0.718788  1
  V  V90  1  0.642095  0.306659  0.718789  1
  Fe  Fe91  1  0.512844  0.846940  0.318047  1
  Fe  Fe92  1  0.847040  0.512754  0.318048  1
  Fe  Fe93  1  0.886543  0.886468  0.303078  1
  Fe  Fe94  1  0.257497  0.924910  0.289624  1
  Fe  Fe95  1  0.589859  0.589724  0.289592  1
  Fe  Fe96  1  0.925047  0.257362  0.289625  1
  Fe  Fe97  1  0.299337  0.299241  0.275157  1
  Fe  Fe98  1  0.219986  0.552566  0.302911  1
  Fe  Fe99  1  0.552652  0.219920  0.302910  1
  Fe  Fe100  1  0.395975  0.729121  0.363155  1
  Fe  Fe101  1  0.729226  0.395866  0.363156  1
  Fe  Fe102  1  0.768231  0.768122  0.347983  1
  Fe  Fe103  1  0.141353  0.807738  0.333067  1
  Fe  Fe104  1  0.474572  0.474474  0.332893  1
  Fe  Fe105  1  0.807840  0.141249  0.333068  1
  Fe  Fe106  1  0.180298  0.180224  0.318040  1
  Fe  Fe107  1  0.101485  0.435026  0.347921  1
  Fe  Fe108  1  0.435130  0.101380  0.347919  1
  Fe  Fe109  1  0.278185  0.611524  0.408799  1
  Fe  Fe110  1  0.611655  0.278053  0.408800  1
  Fe  Fe111  1  0.650803  0.650677  0.393635  1
  Fe  Fe112  1  0.023169  0.689892  0.378334  1
  Fe  Fe113  1  0.356765  0.356642  0.378520  1
  Fe  Fe114  1  0.690009  0.023052  0.378333  1
  Fe  Fe115  1  0.062580  0.062469  0.363226  1
  Fe  Fe116  1  0.984045  0.317485  0.393662  1
  Fe  Fe117  1  0.317612  0.983918  0.393661  1
  Fe  Fe118  1  0.160644  0.493857  0.454472  1
  Fe  Fe119  1  0.494014  0.160486  0.454472  1
  Fe  Fe120  1  0.533190  0.533042  0.439248  1
  Fe  Fe121  1  0.905720  0.572307  0.424014  1
  Fe  Fe122  1  0.239094  0.238951  0.424094  1
  Fe  Fe123  1  0.572447  0.905579  0.424014  1
  Fe  Fe124  1  0.944833  0.944702  0.408778  1
  Fe  Fe125  1  0.866519  0.199709  0.439273  1
  Fe  Fe126  1  0.199859  0.866369  0.439272  1
  Fe  Fe127  1  0.043038  0.376190  0.500091  1
  Fe  Fe128  1  0.376371  0.042857  0.500091  1
  Fe  Fe129  1  0.415576  0.415403  0.484887  1
  Fe  Fe130  1  0.788117  0.454626  0.469665  1
  Fe  Fe131  1  0.121452  0.121286  0.469694  1
  Fe  Fe132  1  0.454791  0.787952  0.469665  1
  Fe  Fe133  1  0.827312  0.827154  0.454463  1
  Fe  Fe134  1  0.748912  0.082063  0.484883  1
  Fe  Fe135  1  0.082236  0.748739  0.484883  1
  Fe  Fe136  1  0.925442  0.258533  0.545710  1
  Fe  Fe137  1  0.258738  0.925237  0.545710  1
  Fe  Fe138  1  0.297949  0.297752  0.530518  1
  Fe  Fe139  1  0.670497  0.336965  0.515286  1
  Fe  Fe140  1  0.003833  0.003644  0.515290  1
  Fe  Fe141  1  0.337153  0.670309  0.515286  1
  Fe  Fe142  1  0.709696  0.709516  0.500082  1
  Fe  Fe143  1  0.631282  0.964429  0.530488  1
  Fe  Fe144  1  0.964625  0.631086  0.530487  1
  Fe  Fe145  1  0.807900  0.140883  0.591359  1
  Fe  Fe146  1  0.141112  0.807672  0.591359  1
  Fe  Fe147  1  0.180343  0.180121  0.576173  1
  Fe  Fe148  1  0.552866  0.219325  0.560916  1
  Fe  Fe149  1  0.886215  0.886005  0.560886  1
  Fe  Fe150  1  0.219537  0.552654  0.560915  1
  Fe  Fe151  1  0.592067  0.591862  0.545698  1
  Fe  Fe152  1  0.513628  0.846810  0.576091  1
  Fe  Fe153  1  0.847029  0.513408  0.576091  1
  Fe  Fe154  1  0.690002  0.023224  0.637013  1
  Fe  Fe155  1  0.023477  0.689752  0.637011  1
  Fe  Fe156  1  0.062910  0.062663  0.621845  1
  Fe  Fe157  1  0.435143  0.101810  0.606549  1
  Fe  Fe158  1  0.768585  0.768350  0.606505  1
  Fe  Fe159  1  0.102047  0.434907  0.606548  1
  Fe  Fe160  1  0.474396  0.474167  0.591334  1
  Fe  Fe161  1  0.395950  0.729210  0.621654  1
  Fe  Fe162  1  0.729451  0.395709  0.621654  1
  Fe  Fe163  1  0.572986  0.904779  0.682318  1
  Fe  Fe164  1  0.905059  0.572698  0.682316  1
  Fe  Fe165  1  0.944867  0.944610  0.667110  1
  Fe  Fe166  1  0.317801  0.984487  0.652337  1
  Fe  Fe167  1  0.651194  0.650930  0.652340  1
  Fe  Fe168  1  0.984747  0.317540  0.652335  1
  Fe  Fe169  1  0.356671  0.356415  0.637091  1
  Fe  Fe170  1  0.278290  0.611121  0.667286  1
  Fe  Fe171  1  0.611383  0.278027  0.667286  1
  Fe  Fe172  1  0.453815  0.785760  0.725027  1
  Fe  Fe173  1  0.786027  0.453543  0.725027  1
  Fe  Fe174  1  0.827889  0.827670  0.710555  1
  Fe  Fe175  1  0.200391  0.866084  0.697266  1
  Fe  Fe176  1  0.533442  0.533156  0.697446  1
  Fe  Fe177  1  0.866381  0.200117  0.697265  1
  Fe  Fe178  1  0.239329  0.239070  0.682317  1
  Fe  Fe179  1  0.162198  0.496185  0.710613  1
  Fe  Fe180  1  0.496409  0.161970  0.710614  1
