# generated using pymatgen
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.07267398
_cell_length_b   13.07442444
_cell_length_c   52.43486579
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe3
_chemical_formula_sum   'V80 Fe240'
_cell_volume   8780.97594424
_cell_formula_units_Z   80
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  0.186962  0.936928  0.306822  1
  V  V2  1  0.686962  0.436928  0.306822  1
  V  V3  1  0.604063  0.854034  0.352735  1
  V  V4  1  0.104063  0.354034  0.352735  1
  V  V5  1  0.936962  0.186928  0.306822  1
  V  V6  1  0.436962  0.686928  0.306822  1
  V  V7  1  0.354063  0.104034  0.352735  1
  V  V8  1  0.854063  0.604034  0.352735  1
  V  V9  1  0.231432  0.231389  0.285618  1
  V  V10  1  0.731432  0.731389  0.285618  1
  V  V11  1  0.646310  0.146276  0.329669  1
  V  V12  1  0.146310  0.646276  0.329669  1
  V  V13  1  0.896310  0.896276  0.329669  1
  V  V14  1  0.396310  0.396276  0.329669  1
  V  V15  1  0.481432  0.981389  0.285618  1
  V  V16  1  0.981432  0.481389  0.285618  1
  V  V17  1  0.021263  0.771242  0.398531  1
  V  V18  1  0.521263  0.271242  0.398531  1
  V  V19  1  0.437838  0.687825  0.444105  1
  V  V20  1  0.937838  0.187825  0.444105  1
  V  V21  1  0.771263  0.021242  0.398531  1
  V  V22  1  0.271263  0.521242  0.398531  1
  V  V23  1  0.187838  0.937825  0.444105  1
  V  V24  1  0.687838  0.437825  0.444105  1
  V  V25  1  0.063068  0.063044  0.376023  1
  V  V26  1  0.563068  0.563044  0.376023  1
  V  V27  1  0.479632  0.979614  0.421321  1
  V  V28  1  0.979632  0.479614  0.421321  1
  V  V29  1  0.729632  0.729614  0.421321  1
  V  V30  1  0.229632  0.229614  0.421321  1
  V  V31  1  0.313068  0.813044  0.376023  1
  V  V32  1  0.813068  0.313044  0.376023  1
  V  V33  1  0.854510  0.604504  0.489678  1
  V  V34  1  0.354510  0.104504  0.489678  1
  V  V35  1  0.271149  0.521151  0.535280  1
  V  V36  1  0.771149  0.021151  0.535280  1
  V  V37  1  0.604510  0.854504  0.489678  1
  V  V38  1  0.104510  0.354504  0.489678  1
  V  V39  1  0.021149  0.771151  0.535280  1
  V  V40  1  0.521149  0.271151  0.535280  1
  V  V41  1  0.896158  0.896148  0.466885  1
  V  V42  1  0.396158  0.396148  0.466885  1
  V  V43  1  0.312797  0.812795  0.512487  1
  V  V44  1  0.812797  0.312795  0.512487  1
  V  V45  1  0.562797  0.562795  0.512487  1
  V  V46  1  0.062797  0.062795  0.512487  1
  V  V47  1  0.146158  0.646148  0.466885  1
  V  V48  1  0.646158  0.146148  0.466885  1
  V  V49  1  0.687675  0.437685  0.580844  1
  V  V50  1  0.187675  0.937685  0.580844  1
  V  V51  1  0.104239  0.354256  0.626142  1
  V  V52  1  0.604239  0.854256  0.626142  1
  V  V53  1  0.437675  0.687685  0.580844  1
  V  V54  1  0.937675  0.187685  0.580844  1
  V  V55  1  0.854239  0.604256  0.626142  1
  V  V56  1  0.354239  0.104256  0.626142  1
  V  V57  1  0.729469  0.729475  0.558060  1
  V  V58  1  0.229469  0.229475  0.558060  1
  V  V59  1  0.146044  0.646058  0.603634  1
  V  V60  1  0.646044  0.146058  0.603634  1
  V  V61  1  0.396044  0.396058  0.603634  1
  V  V62  1  0.896044  0.896058  0.603634  1
  V  V63  1  0.979469  0.479475  0.558060  1
  V  V64  1  0.479469  0.979475  0.558060  1
  V  V65  1  0.520996  0.271024  0.672496  1
  V  V66  1  0.020996  0.771024  0.672496  1
  V  V67  1  0.935875  0.185910  0.716547  1
  V  V68  1  0.435875  0.685910  0.716547  1
  V  V69  1  0.270996  0.521024  0.672496  1
  V  V70  1  0.770996  0.021024  0.672496  1
  V  V71  1  0.685875  0.435910  0.716547  1
  V  V72  1  0.185875  0.935910  0.716547  1
  V  V73  1  0.563244  0.563265  0.649430  1
  V  V74  1  0.063244  0.063265  0.649430  1
  V  V75  1  0.980345  0.480371  0.695343  1
  V  V76  1  0.480345  0.980371  0.695343  1
  V  V77  1  0.230345  0.230371  0.695343  1
  V  V78  1  0.730345  0.730371  0.695343  1
  V  V79  1  0.813244  0.313265  0.649430  1
  V  V80  1  0.313244  0.813265  0.649430  1
  Fe  Fe81  1  0.311861  0.061828  0.306983  1
  Fe  Fe82  1  0.811861  0.561828  0.306983  1
  Fe  Fe83  1  0.729810  0.979782  0.352881  1
  Fe  Fe84  1  0.229810  0.479782  0.352881  1
  Fe  Fe85  1  0.271504  0.271468  0.330455  1
  Fe  Fe86  1  0.771504  0.771468  0.330455  1
  Fe  Fe87  1  0.857838  0.357794  0.286516  1
  Fe  Fe88  1  0.357838  0.857794  0.286516  1
  Fe  Fe89  1  0.146447  0.146417  0.330669  1
  Fe  Fe90  1  0.646447  0.646417  0.330669  1
  Fe  Fe91  1  0.733146  0.233093  0.287879  1
  Fe  Fe92  1  0.233146  0.733093  0.287879  1
  Fe  Fe93  1  0.061861  0.311828  0.306983  1
  Fe  Fe94  1  0.561861  0.811828  0.306983  1
  Fe  Fe95  1  0.479810  0.229782  0.352881  1
  Fe  Fe96  1  0.979810  0.729782  0.352881  1
  Fe  Fe97  1  0.107838  0.107794  0.286516  1
  Fe  Fe98  1  0.607838  0.607794  0.286516  1
  Fe  Fe99  1  0.521504  0.021468  0.330455  1
  Fe  Fe100  1  0.021504  0.521468  0.330455  1
  Fe  Fe101  1  0.983146  0.983093  0.287879  1
  Fe  Fe102  1  0.483146  0.483093  0.287879  1
  Fe  Fe103  1  0.396447  0.896417  0.330669  1
  Fe  Fe104  1  0.896447  0.396417  0.330669  1
  Fe  Fe105  1  0.354012  0.353967  0.286053  1
  Fe  Fe106  1  0.854012  0.853967  0.286053  1
  Fe  Fe107  1  0.771786  0.271755  0.330594  1
  Fe  Fe108  1  0.271786  0.771755  0.330594  1
  Fe  Fe109  1  0.229038  0.979010  0.352741  1
  Fe  Fe110  1  0.729038  0.479010  0.352741  1
  Fe  Fe111  1  0.812651  0.062608  0.307877  1
  Fe  Fe112  1  0.312651  0.562608  0.307877  1
  Fe  Fe113  1  0.104504  0.854475  0.352874  1
  Fe  Fe114  1  0.604504  0.354475  0.352874  1
  Fe  Fe115  1  0.685865  0.935824  0.308587  1
  Fe  Fe116  1  0.185865  0.435824  0.308587  1
  Fe  Fe117  1  0.021786  0.021755  0.330594  1
  Fe  Fe118  1  0.521786  0.521755  0.330594  1
  Fe  Fe119  1  0.604012  0.103967  0.286053  1
  Fe  Fe120  1  0.104012  0.603967  0.286053  1
  Fe  Fe121  1  0.979038  0.229010  0.352741  1
  Fe  Fe122  1  0.479038  0.729010  0.352741  1
  Fe  Fe123  1  0.562651  0.312608  0.307877  1
  Fe  Fe124  1  0.062651  0.812608  0.307877  1
  Fe  Fe125  1  0.854504  0.104475  0.352874  1
  Fe  Fe126  1  0.354504  0.604475  0.352874  1
  Fe  Fe127  1  0.435865  0.185824  0.308587  1
  Fe  Fe128  1  0.935865  0.685824  0.308587  1
  Fe  Fe129  1  0.146140  0.896121  0.398540  1
  Fe  Fe130  1  0.646140  0.396121  0.398540  1
  Fe  Fe131  1  0.562909  0.812897  0.444100  1
  Fe  Fe132  1  0.062909  0.312897  0.444100  1
  Fe  Fe133  1  0.104671  0.104652  0.421440  1
  Fe  Fe134  1  0.604671  0.604652  0.421440  1
  Fe  Fe135  1  0.687827  0.187800  0.375591  1
  Fe  Fe136  1  0.187827  0.687800  0.375591  1
  Fe  Fe137  1  0.979481  0.979464  0.421314  1
  Fe  Fe138  1  0.479481  0.479464  0.421314  1
  Fe  Fe139  1  0.563044  0.063019  0.375716  1
  Fe  Fe140  1  0.063044  0.563019  0.375716  1
  Fe  Fe141  1  0.896140  0.146121  0.398540  1
  Fe  Fe142  1  0.396140  0.646121  0.398540  1
  Fe  Fe143  1  0.312909  0.062897  0.444100  1
  Fe  Fe144  1  0.812909  0.562897  0.444100  1
  Fe  Fe145  1  0.937827  0.937800  0.375591  1
  Fe  Fe146  1  0.437827  0.437800  0.375591  1
  Fe  Fe147  1  0.354671  0.854652  0.421440  1
  Fe  Fe148  1  0.854671  0.354652  0.421440  1
  Fe  Fe149  1  0.813044  0.813019  0.375716  1
  Fe  Fe150  1  0.313044  0.313019  0.375716  1
  Fe  Fe151  1  0.229481  0.729464  0.421314  1
  Fe  Fe152  1  0.729481  0.229464  0.421314  1
  Fe  Fe153  1  0.187968  0.187945  0.375818  1
  Fe  Fe154  1  0.687968  0.687945  0.375818  1
  Fe  Fe155  1  0.604567  0.104552  0.421281  1
  Fe  Fe156  1  0.104567  0.604552  0.421281  1
  Fe  Fe157  1  0.062831  0.812815  0.444113  1
  Fe  Fe158  1  0.562831  0.312815  0.444113  1
  Fe  Fe159  1  0.646207  0.896184  0.398389  1
  Fe  Fe160  1  0.146207  0.396184  0.398389  1
  Fe  Fe161  1  0.937855  0.687841  0.444067  1
  Fe  Fe162  1  0.437855  0.187841  0.444067  1
  Fe  Fe163  1  0.521214  0.771192  0.398480  1
  Fe  Fe164  1  0.021214  0.271192  0.398480  1
  Fe  Fe165  1  0.854567  0.854552  0.421281  1
  Fe  Fe166  1  0.354567  0.354552  0.421281  1
  Fe  Fe167  1  0.437968  0.937945  0.375818  1
  Fe  Fe168  1  0.937968  0.437945  0.375818  1
  Fe  Fe169  1  0.812831  0.062815  0.444113  1
  Fe  Fe170  1  0.312831  0.562815  0.444113  1
  Fe  Fe171  1  0.396207  0.146184  0.398389  1
  Fe  Fe172  1  0.896207  0.646184  0.398389  1
  Fe  Fe173  1  0.687855  0.937841  0.444067  1
  Fe  Fe174  1  0.187855  0.437841  0.444067  1
  Fe  Fe175  1  0.271214  0.021192  0.398480  1
  Fe  Fe176  1  0.771214  0.521192  0.398480  1
  Fe  Fe177  1  0.979512  0.729509  0.489691  1
  Fe  Fe178  1  0.479512  0.229509  0.489691  1
  Fe  Fe179  1  0.396120  0.646124  0.535273  1
  Fe  Fe180  1  0.896120  0.146124  0.535273  1
  Fe  Fe181  1  0.937795  0.937791  0.512474  1
  Fe  Fe182  1  0.437795  0.437791  0.512474  1
  Fe  Fe183  1  0.521187  0.021176  0.466892  1
  Fe  Fe184  1  0.021187  0.521176  0.466892  1
  Fe  Fe185  1  0.812820  0.812818  0.512475  1
  Fe  Fe186  1  0.312820  0.312818  0.512475  1
  Fe  Fe187  1  0.396217  0.896208  0.466935  1
  Fe  Fe188  1  0.896217  0.396208  0.466935  1
  Fe  Fe189  1  0.729512  0.979509  0.489691  1
  Fe  Fe190  1  0.229512  0.479509  0.489691  1
  Fe  Fe191  1  0.146120  0.896124  0.535273  1
  Fe  Fe192  1  0.646120  0.396124  0.535273  1
  Fe  Fe193  1  0.771187  0.771176  0.466892  1
  Fe  Fe194  1  0.271187  0.271176  0.466892  1
  Fe  Fe195  1  0.187795  0.687791  0.512474  1
  Fe  Fe196  1  0.687795  0.187791  0.512474  1
  Fe  Fe197  1  0.646217  0.646208  0.466935  1
  Fe  Fe198  1  0.146217  0.146208  0.466935  1
  Fe  Fe199  1  0.062820  0.562818  0.512475  1
  Fe  Fe200  1  0.562820  0.062818  0.512475  1
  Fe  Fe201  1  0.021170  0.021162  0.466915  1
  Fe  Fe202  1  0.521170  0.521162  0.466915  1
  Fe  Fe203  1  0.437829  0.937829  0.512489  1
  Fe  Fe204  1  0.937829  0.437829  0.512489  1
  Fe  Fe205  1  0.896137  0.646137  0.535251  1
  Fe  Fe206  1  0.396137  0.146137  0.535251  1
  Fe  Fe207  1  0.479478  0.729471  0.489676  1
  Fe  Fe208  1  0.979478  0.229471  0.489676  1
  Fe  Fe209  1  0.771089  0.521092  0.535230  1
  Fe  Fe210  1  0.271089  0.021092  0.535230  1
  Fe  Fe211  1  0.354487  0.604482  0.489690  1
  Fe  Fe212  1  0.854487  0.104482  0.489690  1
  Fe  Fe213  1  0.687829  0.687829  0.512489  1
  Fe  Fe214  1  0.187829  0.187829  0.512489  1
  Fe  Fe215  1  0.271170  0.771162  0.466915  1
  Fe  Fe216  1  0.771170  0.271162  0.466915  1
  Fe  Fe217  1  0.646137  0.896137  0.535251  1
  Fe  Fe218  1  0.146137  0.396137  0.535251  1
  Fe  Fe219  1  0.229478  0.979471  0.489676  1
  Fe  Fe220  1  0.729478  0.479471  0.489676  1
  Fe  Fe221  1  0.521089  0.771092  0.535230  1
  Fe  Fe222  1  0.021089  0.271092  0.535230  1
  Fe  Fe223  1  0.104487  0.854482  0.489690  1
  Fe  Fe224  1  0.604487  0.354482  0.489690  1
  Fe  Fe225  1  0.812636  0.562648  0.580725  1
  Fe  Fe226  1  0.312636  0.062648  0.580725  1
  Fe  Fe227  1  0.229480  0.479500  0.626574  1
  Fe  Fe228  1  0.729480  0.979500  0.626574  1
  Fe  Fe229  1  0.771167  0.771178  0.603625  1
  Fe  Fe230  1  0.271167  0.271178  0.603625  1
  Fe  Fe231  1  0.354398  0.854402  0.558065  1
  Fe  Fe232  1  0.854398  0.354402  0.558065  1
  Fe  Fe233  1  0.646093  0.646107  0.603685  1
  Fe  Fe234  1  0.146093  0.146107  0.603685  1
  Fe  Fe235  1  0.229452  0.729459  0.558098  1
  Fe  Fe236  1  0.729452  0.229459  0.558098  1
  Fe  Fe237  1  0.562636  0.812648  0.580725  1
  Fe  Fe238  1  0.062636  0.312648  0.580725  1
  Fe  Fe239  1  0.979480  0.729500  0.626574  1
  Fe  Fe240  1  0.479480  0.229500  0.626574  1
  Fe  Fe241  1  0.604398  0.604402  0.558065  1
  Fe  Fe242  1  0.104398  0.104402  0.558065  1
  Fe  Fe243  1  0.021167  0.521178  0.603625  1
  Fe  Fe244  1  0.521167  0.021178  0.603625  1
  Fe  Fe245  1  0.479452  0.479459  0.558098  1
  Fe  Fe246  1  0.979452  0.979459  0.558098  1
  Fe  Fe247  1  0.896093  0.396107  0.603685  1
  Fe  Fe248  1  0.396093  0.896107  0.603685  1
  Fe  Fe249  1  0.854476  0.854484  0.558052  1
  Fe  Fe250  1  0.354476  0.354484  0.558052  1
  Fe  Fe251  1  0.271100  0.771115  0.603776  1
  Fe  Fe252  1  0.771100  0.271115  0.603776  1
  Fe  Fe253  1  0.729339  0.479355  0.626347  1
  Fe  Fe254  1  0.229339  0.979355  0.626347  1
  Fe  Fe255  1  0.312740  0.562748  0.580884  1
  Fe  Fe256  1  0.812740  0.062748  0.580884  1
  Fe  Fe257  1  0.604263  0.354281  0.626449  1
  Fe  Fe258  1  0.104263  0.854281  0.626449  1
  Fe  Fe259  1  0.187826  0.437836  0.580851  1
  Fe  Fe260  1  0.687826  0.937836  0.580851  1
  Fe  Fe261  1  0.521100  0.521115  0.603776  1
  Fe  Fe262  1  0.021100  0.021115  0.603776  1
  Fe  Fe263  1  0.104476  0.604484  0.558052  1
  Fe  Fe264  1  0.604476  0.104484  0.558052  1
  Fe  Fe265  1  0.479339  0.729355  0.626347  1
  Fe  Fe266  1  0.979339  0.229355  0.626347  1
  Fe  Fe267  1  0.062740  0.812748  0.580884  1
  Fe  Fe268  1  0.562740  0.312748  0.580884  1
  Fe  Fe269  1  0.354263  0.604281  0.626449  1
  Fe  Fe270  1  0.854263  0.104281  0.626449  1
  Fe  Fe271  1  0.937826  0.687836  0.580851  1
  Fe  Fe272  1  0.437826  0.187836  0.580851  1
  Fe  Fe273  1  0.645803  0.395831  0.671710  1
  Fe  Fe274  1  0.145803  0.895831  0.671710  1
  Fe  Fe275  1  0.059469  0.309506  0.715649  1
  Fe  Fe276  1  0.559469  0.809506  0.715649  1
  Fe  Fe277  1  0.605446  0.605472  0.695182  1
  Fe  Fe278  1  0.105446  0.105472  0.695182  1
  Fe  Fe279  1  0.187497  0.687518  0.649284  1
  Fe  Fe280  1  0.687497  0.187518  0.649284  1
  Fe  Fe281  1  0.481442  0.481475  0.693578  1
  Fe  Fe282  1  0.981442  0.981475  0.693578  1
  Fe  Fe283  1  0.062803  0.562825  0.649291  1
  Fe  Fe284  1  0.562803  0.062825  0.649291  1
  Fe  Fe285  1  0.395803  0.645831  0.671710  1
  Fe  Fe286  1  0.895803  0.145831  0.671710  1
  Fe  Fe287  1  0.809469  0.559506  0.715649  1
  Fe  Fe288  1  0.309469  0.059506  0.715649  1
  Fe  Fe289  1  0.437497  0.437518  0.649284  1
  Fe  Fe290  1  0.937497  0.937518  0.649284  1
  Fe  Fe291  1  0.855446  0.355472  0.695182  1
  Fe  Fe292  1  0.355446  0.855472  0.695182  1
  Fe  Fe293  1  0.312803  0.312825  0.649291  1
  Fe  Fe294  1  0.812803  0.812825  0.649291  1
  Fe  Fe295  1  0.731442  0.231475  0.693578  1
  Fe  Fe296  1  0.231442  0.731475  0.693578  1
  Fe  Fe297  1  0.688269  0.688290  0.649424  1
  Fe  Fe298  1  0.188269  0.188290  0.649424  1
  Fe  Fe299  1  0.104656  0.604692  0.694288  1
  Fe  Fe300  1  0.604656  0.104692  0.694288  1
  Fe  Fe301  1  0.563295  0.313332  0.716113  1
  Fe  Fe302  1  0.063295  0.813332  0.716113  1
  Fe  Fe303  1  0.145521  0.395545  0.671571  1
  Fe  Fe304  1  0.645521  0.895545  0.671571  1
  Fe  Fe305  1  0.434161  0.184207  0.714286  1
  Fe  Fe306  1  0.934161  0.684207  0.714286  1
  Fe  Fe307  1  0.020860  0.270882  0.671496  1
  Fe  Fe308  1  0.520860  0.770882  0.671496  1
  Fe  Fe309  1  0.354656  0.354692  0.694288  1
  Fe  Fe310  1  0.854656  0.854692  0.694288  1
  Fe  Fe311  1  0.938269  0.438290  0.649424  1
  Fe  Fe312  1  0.438269  0.938290  0.649424  1
  Fe  Fe313  1  0.313295  0.563332  0.716113  1
  Fe  Fe314  1  0.813295  0.063332  0.716113  1
  Fe  Fe315  1  0.895521  0.645545  0.671571  1
  Fe  Fe316  1  0.395521  0.145545  0.671571  1
  Fe  Fe317  1  0.184161  0.434207  0.714286  1
  Fe  Fe318  1  0.684161  0.934207  0.714286  1
  Fe  Fe319  1  0.770860  0.520882  0.671496  1
  Fe  Fe320  1  0.270860  0.020882  0.671496  1
