# generated using pymatgen
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82453982
_cell_length_b   21.10419382
_cell_length_c   53.52453445
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe3
_chemical_formula_sum   'V60 Fe180'
_cell_volume   6579.35444988
_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
  V  V1  1  0.002251  0.652915  0.302599  1
  V  V2  1  0.002251  0.268834  0.332532  1
  V  V3  1  0.002251  0.884428  0.363928  1
  V  V4  1  0.502251  0.768329  0.332508  1
  V  V5  1  0.502251  0.538266  0.273741  1
  V  V6  1  0.502251  0.154325  0.302971  1
  V  V7  1  0.502251  0.577180  0.348738  1
  V  V8  1  0.502251  0.346318  0.287725  1
  V  V9  1  0.502251  0.960826  0.317945  1
  V  V10  1  1.002251  0.846722  0.287688  1
  V  V11  1  0.002251  0.461601  0.317221  1
  V  V12  1  0.002251  0.076726  0.347507  1
  V  V13  1  0.002251  0.499868  0.394024  1
  V  V14  1  0.002251  0.115179  0.424158  1
  V  V15  1  0.002251  0.730625  0.454708  1
  V  V16  1  0.502251  0.615259  0.424372  1
  V  V17  1  0.502251  0.384576  0.363814  1
  V  V18  1  0.502251  -0.000003  0.393929  1
  V  V19  1  0.502251  0.422875  0.439476  1
  V  V20  1  0.502251  0.192263  0.378861  1
  V  V21  1  0.502251  0.807535  0.409112  1
  V  V22  1  1.002251  0.692269  0.378859  1
  V  V23  1  0.002251  0.307508  0.409065  1
  V  V24  1  0.002251  0.922914  0.439457  1
  V  V25  1  0.002251  0.345934  0.485024  1
  V  V26  1  1.002251  0.961309  0.515401  1
  V  V27  1  0.002251  0.576741  0.545891  1
  V  V28  1  0.502251  0.461333  0.515441  1
  V  V29  1  0.502251  0.230526  0.454574  1
  V  V30  1  0.502251  0.845958  0.485063  1
  V  V31  1  0.502251  0.268971  0.530536  1
  V  V32  1  0.502251  0.038273  0.469785  1
  V  V33  1  0.502251  0.653676  0.500314  1
  V  V34  1  1.002251  0.538296  0.469928  1
  V  V35  1  0.002251  0.153591  0.500150  1
  V  V36  1  1.002251  0.768994  0.530679  1
  V  V37  1  1.002251  0.192009  0.576093  1
  V  V38  1  0.002251  0.807270  0.606536  1
  V  V39  1  0.002251  0.422691  0.636651  1
  V  V40  1  0.502251  0.307399  0.606441  1
  V  V41  1  0.502251  0.076642  0.545757  1
  V  V42  1  0.502251  0.692088  0.576307  1
  V  V43  1  0.502251  0.114998  0.621606  1
  V  V44  1  0.502251  0.884353  0.561007  1
  V  V45  1  0.502251  0.499759  0.591400  1
  V  V46  1  1.002251  0.384392  0.560988  1
  V  V47  1  0.002251  0.999732  0.591353  1
  V  V48  1  0.002251  0.615004  0.621604  1
  V  V49  1  0.002251  0.038938  0.667957  1
  V  V50  1  1.002251  0.652942  0.697493  1
  V  V51  1  0.002251  0.269001  0.726723  1
  V  V52  1  0.502251  0.154352  0.697866  1
  V  V53  1  0.502251  0.922839  0.636536  1
  V  V54  1  0.502251  0.538433  0.667933  1
  V  V55  1  0.502251  0.960545  0.712776  1
  V  V56  1  0.502251  0.730541  0.652958  1
  V  V57  1  0.502251  0.345666  0.683244  1
  V  V58  1  0.002251  0.230087  0.651727  1
  V  V59  1  0.002251  0.846441  0.682519  1
  V  V60  1  1.002251  0.460949  0.712739  1
  Fe  Fe61  1  0.750509  0.557358  0.311166  1
  Fe  Fe62  1  0.750284  0.173009  0.340762  1
  Fe  Fe63  1  0.754866  0.941146  0.281843  1
  Fe  Fe64  1  0.253993  0.557358  0.311166  1
  Fe  Fe65  1  0.254218  0.173009  0.340762  1
  Fe  Fe66  1  0.249635  0.941146  0.281843  1
  Fe  Fe67  1  0.502251  0.651822  0.303898  1
  Fe  Fe68  1  0.502251  0.269467  0.333433  1
  Fe  Fe69  1  0.502251  0.884373  0.363495  1
  Fe  Fe70  1  0.250495  0.673025  0.340669  1
  Fe  Fe71  1  0.260129  0.442845  0.280744  1
  Fe  Fe72  1  0.258931  0.057203  0.310413  1
  Fe  Fe73  1  0.754007  0.673025  0.340669  1
  Fe  Fe74  1  0.744373  0.442845  0.280744  1
  Fe  Fe75  1  0.745571  0.057203  0.310413  1
  Fe  Fe76  1  0.002251  0.769155  0.333506  1
  Fe  Fe77  1  0.002251  0.540124  0.275906  1
  Fe  Fe78  1  0.002251  0.154984  0.305096  1
  Fe  Fe79  1  0.250987  0.480572  0.355952  1
  Fe  Fe80  1  0.259419  0.250549  0.295891  1
  Fe  Fe81  1  0.250265  0.864995  0.325721  1
  Fe  Fe82  1  0.753515  0.480572  0.355952  1
  Fe  Fe83  1  0.745083  0.250549  0.295891  1
  Fe  Fe84  1  0.754236  0.864995  0.325721  1
  Fe  Fe85  1  0.002251  0.576868  0.348581  1
  Fe  Fe86  1  0.002251  0.347484  0.289981  1
  Fe  Fe87  1  1.002251  0.959701  0.319426  1
  Fe  Fe88  1  0.761302  0.750473  0.296039  1
  Fe  Fe89  1  0.750553  0.365484  0.325662  1
  Fe  Fe90  1  0.751663  0.980861  0.355911  1
  Fe  Fe91  1  0.243200  0.750473  0.296039  1
  Fe  Fe92  1  0.253949  0.365484  0.325662  1
  Fe  Fe93  1  0.252839  0.980861  0.355911  1
  Fe  Fe94  1  0.502251  0.846623  0.290083  1
  Fe  Fe95  1  0.502251  0.461403  0.318452  1
  Fe  Fe96  1  0.502251  0.076811  0.348276  1
  Fe  Fe97  1  0.752807  0.403698  0.401553  1
  Fe  Fe98  1  0.752410  0.019110  0.431822  1
  Fe  Fe99  1  0.750958  0.788165  0.371028  1
  Fe  Fe100  1  0.251695  0.403698  0.401553  1
  Fe  Fe101  1  0.252092  0.019110  0.431822  1
  Fe  Fe102  1  0.253543  0.788165  0.371028  1
  Fe  Fe103  1  0.502251  0.499858  0.393938  1
  Fe  Fe104  1  0.502251  0.115161  0.424123  1
  Fe  Fe105  1  0.502251  0.730621  0.454733  1
  Fe  Fe106  1  0.252252  0.519080  0.431969  1
  Fe  Fe107  1  0.251095  0.288294  0.370997  1
  Fe  Fe108  1  0.252920  0.903773  0.401577  1
  Fe  Fe109  1  0.752250  0.519080  0.431969  1
  Fe  Fe110  1  0.753406  0.288294  0.370997  1
  Fe  Fe111  1  0.751582  0.903773  0.401577  1
  Fe  Fe112  1  1.002251  0.615288  0.424429  1
  Fe  Fe113  1  0.002251  0.384485  0.363404  1
  Fe  Fe114  1  0.002251  -0.000058  0.393788  1
  Fe  Fe115  1  0.252168  0.326713  0.447051  1
  Fe  Fe116  1  0.251184  0.095955  0.386040  1
  Fe  Fe117  1  0.252444  0.711434  0.416751  1
  Fe  Fe118  1  0.752334  0.326713  0.447051  1
  Fe  Fe119  1  0.753318  0.095955  0.386040  1
  Fe  Fe120  1  0.752058  0.711434  0.416751  1
  Fe  Fe121  1  0.002251  0.422910  0.439542  1
  Fe  Fe122  1  0.002251  0.192113  0.378525  1
  Fe  Fe123  1  0.002251  0.807494  0.409073  1
  Fe  Fe124  1  0.752735  0.596106  0.386487  1
  Fe  Fe125  1  0.752721  0.211343  0.416638  1
  Fe  Fe126  1  0.752174  0.826758  0.447095  1
  Fe  Fe127  1  0.251766  0.596106  0.386487  1
  Fe  Fe128  1  0.251781  0.211343  0.416638  1
  Fe  Fe129  1  0.252327  0.826758  0.447095  1
  Fe  Fe130  1  0.502251  0.692171  0.378663  1
  Fe  Fe131  1  0.502251  0.307481  0.409033  1
  Fe  Fe132  1  0.502251  0.922960  0.439527  1
  Fe  Fe133  1  0.752135  0.249753  0.492569  1
  Fe  Fe134  1  0.752154  0.865147  0.523028  1
  Fe  Fe135  1  0.752155  0.634472  0.462345  1
  Fe  Fe136  1  0.252366  0.249753  0.492569  1
  Fe  Fe137  1  0.252348  0.865147  0.523028  1
  Fe  Fe138  1  0.252347  0.634472  0.462345  1
  Fe  Fe139  1  0.502251  0.345931  0.485019  1
  Fe  Fe140  1  0.502251  0.961304  0.515401  1
  Fe  Fe141  1  0.502251  0.576708  0.545837  1
  Fe  Fe142  1  0.252123  0.365157  0.522993  1
  Fe  Fe143  1  0.252134  0.134388  0.462168  1
  Fe  Fe144  1  0.252134  0.749815  0.492693  1
  Fe  Fe145  1  0.752379  0.365157  0.522993  1
  Fe  Fe146  1  0.752367  0.134388  0.462168  1
  Fe  Fe147  1  0.752368  0.749815  0.492693  1
  Fe  Fe148  1  0.002251  0.461336  0.515446  1
  Fe  Fe149  1  0.002251  0.230559  0.454627  1
  Fe  Fe150  1  0.002251  0.845963  0.485064  1
  Fe  Fe151  1  0.252155  0.172795  0.538119  1
  Fe  Fe152  1  0.252154  0.942120  0.477436  1
  Fe  Fe153  1  0.252135  0.557514  0.507896  1
  Fe  Fe154  1  0.752347  0.172795  0.538119  1
  Fe  Fe155  1  0.752348  0.942120  0.477436  1
  Fe  Fe156  1  0.752366  0.557514  0.507896  1
  Fe  Fe157  1  0.002251  0.268969  0.530538  1
  Fe  Fe158  1  0.002251  0.038261  0.469807  1
  Fe  Fe159  1  1.002251  0.653673  0.500313  1
  Fe  Fe160  1  0.752123  0.442110  0.477471  1
  Fe  Fe161  1  0.752134  0.057452  0.507771  1
  Fe  Fe162  1  0.752134  0.672879  0.538296  1
  Fe  Fe163  1  0.252379  0.442110  0.477471  1
  Fe  Fe164  1  0.252368  0.057452  0.507771  1
  Fe  Fe165  1  0.252367  0.672879  0.538296  1
  Fe  Fe166  1  0.502251  0.538298  0.469927  1
  Fe  Fe167  1  0.502251  0.153594  0.500151  1
  Fe  Fe168  1  0.502251  0.769006  0.530657  1
  Fe  Fe169  1  0.752444  0.095833  0.583714  1
  Fe  Fe170  1  0.751184  0.711312  0.614425  1
  Fe  Fe171  1  0.752168  0.480554  0.553414  1
  Fe  Fe172  1  0.252058  0.095833  0.583714  1
  Fe  Fe173  1  0.253318  0.711312  0.614425  1
  Fe  Fe174  1  0.252334  0.480554  0.553414  1
  Fe  Fe175  1  0.502251  0.191979  0.576035  1
  Fe  Fe176  1  0.502251  0.807325  0.606677  1
  Fe  Fe177  1  0.502251  0.422782  0.637061  1
  Fe  Fe178  1  0.252735  0.211161  0.613977  1
  Fe  Fe179  1  0.252174  0.980509  0.553369  1
  Fe  Fe180  1  0.252721  0.595924  0.583827  1
  Fe  Fe181  1  0.751766  0.211161  0.613977  1
  Fe  Fe182  1  0.752327  0.980509  0.553369  1
  Fe  Fe183  1  0.751781  0.595924  0.583827  1
  Fe  Fe184  1  0.002251  0.307409  0.606527  1
  Fe  Fe185  1  0.002251  0.076646  0.545732  1
  Fe  Fe186  1  0.002251  0.692106  0.576342  1
  Fe  Fe187  1  0.250958  0.019102  0.629437  1
  Fe  Fe188  1  0.252410  0.788157  0.568643  1
  Fe  Fe189  1  0.252807  0.403569  0.598912  1
  Fe  Fe190  1  0.753543  0.019102  0.629437  1
  Fe  Fe191  1  0.752092  0.788157  0.568643  1
  Fe  Fe192  1  0.751695  0.403569  0.598912  1
  Fe  Fe193  1  0.002251  0.115096  0.621802  1
  Fe  Fe194  1  0.002251  0.884307  0.560938  1
  Fe  Fe195  1  0.002251  0.499786  0.591431  1
  Fe  Fe196  1  0.752252  0.288187  0.568495  1
  Fe  Fe197  1  0.752920  0.903494  0.598888  1
  Fe  Fe198  1  0.751095  0.518973  0.629467  1
  Fe  Fe199  1  0.252250  0.288187  0.568495  1
  Fe  Fe200  1  0.251582  0.903494  0.598888  1
  Fe  Fe201  1  0.253406  0.518973  0.629467  1
  Fe  Fe202  1  0.502251  0.384357  0.560922  1
  Fe  Fe203  1  0.502251  0.999773  0.591391  1
  Fe  Fe204  1  0.502251  0.615154  0.621939  1
  Fe  Fe205  1  0.750265  0.942272  0.674744  1
  Fe  Fe206  1  0.759419  0.556718  0.704574  1
  Fe  Fe207  1  0.750987  0.326696  0.644512  1
  Fe  Fe208  1  0.254236  0.942272  0.674744  1
  Fe  Fe209  1  0.245083  0.556718  0.704574  1
  Fe  Fe210  1  0.253515  0.326696  0.644512  1
  Fe  Fe211  1  0.502251  0.038112  0.666959  1
  Fe  Fe212  1  0.502251  0.652283  0.695369  1
  Fe  Fe213  1  0.502251  0.267143  0.724559  1
  Fe  Fe214  1  0.261302  0.056794  0.704425  1
  Fe  Fe215  1  0.251663  0.826406  0.644554  1
  Fe  Fe216  1  0.250553  0.441783  0.674803  1
  Fe  Fe217  1  0.743200  0.056794  0.704425  1
  Fe  Fe218  1  0.752839  0.826406  0.644554  1
  Fe  Fe219  1  0.753949  0.441783  0.674803  1
  Fe  Fe220  1  1.002251  0.155445  0.696566  1
  Fe  Fe221  1  0.002251  0.922895  0.636970  1
  Fe  Fe222  1  1.002251  0.537800  0.667031  1
  Fe  Fe223  1  0.254866  0.866121  0.718622  1
  Fe  Fe224  1  0.250284  0.634258  0.659702  1
  Fe  Fe225  1  0.250509  0.249909  0.689298  1
  Fe  Fe226  1  0.749635  0.866121  0.718622  1
  Fe  Fe227  1  0.754218  0.634258  0.659702  1
  Fe  Fe228  1  0.753993  0.249909  0.689298  1
  Fe  Fe229  1  0.002251  0.960644  0.710381  1
  Fe  Fe230  1  0.002251  0.730456  0.652188  1
  Fe  Fe231  1  0.002251  0.345864  0.682013  1
  Fe  Fe232  1  0.750495  0.134242  0.659796  1
  Fe  Fe233  1  0.758931  0.750064  0.690052  1
  Fe  Fe234  1  0.760129  0.364422  0.719720  1
  Fe  Fe235  1  0.254007  0.134242  0.659796  1
  Fe  Fe236  1  0.245571  0.750064  0.690052  1
  Fe  Fe237  1  0.244373  0.364422  0.719720  1
  Fe  Fe238  1  0.502251  0.230399  0.651883  1
  Fe  Fe239  1  0.502251  0.847566  0.681038  1
  Fe  Fe240  1  0.502251  0.459783  0.710484  1
