# generated using pymatgen
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27048719
_cell_length_b   18.45111444
_cell_length_c   48.20949413
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe3
_chemical_formula_sum   'V60 Fe180'
_cell_volume   7170.47742398
_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  0.373701  0.788559  0.335798  1
  V  V2  1  0.531623  0.104377  0.364796  1
  V  V3  1  0.216045  0.472966  0.309786  1
  V  V4  1  0.216045  0.972966  0.309786  1
  V  V5  1  0.373701  0.288559  0.335798  1
  V  V6  1  0.531623  0.604377  0.364796  1
  V  V7  1  0.716045  0.972966  0.309786  1
  V  V8  1  0.873701  0.288559  0.335798  1
  V  V9  1  0.031623  0.604377  0.364796  1
  V  V10  1  0.873701  0.788559  0.335798  1
  V  V11  1  0.031623  0.104377  0.364796  1
  V  V12  1  0.716045  0.472966  0.309786  1
  V  V13  1  0.847473  0.736122  0.420998  1
  V  V14  1  0.005431  0.052052  0.448820  1
  V  V15  1  0.689563  0.420269  0.393637  1
  V  V16  1  0.689563  0.920269  0.393637  1
  V  V17  1  0.847473  0.236122  0.420998  1
  V  V18  1  0.005431  0.552052  0.448820  1
  V  V19  1  0.189563  0.920269  0.393637  1
  V  V20  1  0.347473  0.236122  0.420998  1
  V  V21  1  0.505431  0.552052  0.448820  1
  V  V22  1  0.347473  0.736122  0.420998  1
  V  V23  1  0.505431  0.052052  0.448820  1
  V  V24  1  0.189563  0.420269  0.393637  1
  V  V25  1  0.321075  0.683388  0.504610  1
  V  V26  1  0.478906  0.999072  0.532520  1
  V  V27  1  0.163193  0.367603  0.476697  1
  V  V28  1  0.163193  0.867603  0.476697  1
  V  V29  1  0.321075  0.183388  0.504610  1
  V  V30  1  0.478906  0.499072  0.532520  1
  V  V31  1  0.663193  0.867603  0.476697  1
  V  V32  1  0.821075  0.183388  0.504610  1
  V  V33  1  0.978906  0.499072  0.532520  1
  V  V34  1  0.821075  0.683388  0.504610  1
  V  V35  1  0.978906  0.999072  0.532520  1
  V  V36  1  0.663193  0.367603  0.476697  1
  V  V37  1  0.794603  0.630511  0.588087  1
  V  V38  1  0.952894  0.947112  0.616253  1
  V  V39  1  0.636792  0.314867  0.560329  1
  V  V40  1  0.636792  0.814867  0.560329  1
  V  V41  1  0.794603  0.130511  0.588087  1
  V  V42  1  0.952894  0.447112  0.616253  1
  V  V43  1  0.136792  0.814867  0.560329  1
  V  V44  1  0.294603  0.130511  0.588087  1
  V  V45  1  0.452894  0.447112  0.616253  1
  V  V46  1  0.294603  0.630511  0.588087  1
  V  V47  1  0.452894  0.947112  0.616253  1
  V  V48  1  0.136792  0.314867  0.560329  1
  V  V49  1  0.268731  0.578835  0.671974  1
  V  V50  1  0.425088  0.891654  0.699418  1
  V  V51  1  0.110154  0.261646  0.644508  1
  V  V52  1  0.110154  0.761646  0.644508  1
  V  V53  1  0.268731  0.078835  0.671974  1
  V  V54  1  0.425088  0.391654  0.699418  1
  V  V55  1  0.610154  0.761646  0.644508  1
  V  V56  1  0.768731  0.078835  0.671974  1
  V  V57  1  0.925088  0.391654  0.699418  1
  V  V58  1  0.768731  0.578835  0.671974  1
  V  V59  1  0.925088  0.891654  0.699418  1
  V  V60  1  0.610154  0.261646  0.644508  1
  Fe  Fe61  1  0.663584  0.868269  0.345051  1
  Fe  Fe62  1  0.821664  0.184490  0.372004  1
  Fe  Fe63  1  0.504023  0.549065  0.317232  1
  Fe  Fe64  1  0.741901  0.024872  0.358411  1
  Fe  Fe65  1  0.428580  0.397873  0.303853  1
  Fe  Fe66  1  0.584495  0.710066  0.331269  1
  Fe  Fe67  1  0.452591  0.946256  0.351827  1
  Fe  Fe68  1  0.139592  0.319555  0.299769  1
  Fe  Fe69  1  0.294052  0.629166  0.325807  1
  Fe  Fe70  1  0.504023  0.049065  0.317232  1
  Fe  Fe71  1  0.663584  0.368269  0.345051  1
  Fe  Fe72  1  0.821664  0.684490  0.372004  1
  Fe  Fe73  1  0.428580  0.897873  0.303853  1
  Fe  Fe74  1  0.584495  0.210066  0.331269  1
  Fe  Fe75  1  0.741901  0.524872  0.358411  1
  Fe  Fe76  1  0.139592  0.819555  0.299769  1
  Fe  Fe77  1  0.294052  0.129166  0.325807  1
  Fe  Fe78  1  0.452591  0.446256  0.351827  1
  Fe  Fe79  1  0.004023  0.049065  0.317232  1
  Fe  Fe80  1  0.163584  0.368269  0.345051  1
  Fe  Fe81  1  0.321664  0.684490  0.372004  1
  Fe  Fe82  1  0.928580  0.897873  0.303853  1
  Fe  Fe83  1  0.084495  0.210066  0.331269  1
  Fe  Fe84  1  0.241901  0.524872  0.358411  1
  Fe  Fe85  1  0.639592  0.819555  0.299769  1
  Fe  Fe86  1  0.794052  0.129166  0.325807  1
  Fe  Fe87  1  0.952591  0.446256  0.351827  1
  Fe  Fe88  1  0.163584  0.868269  0.345051  1
  Fe  Fe89  1  0.321664  0.184490  0.372004  1
  Fe  Fe90  1  0.004023  0.549065  0.317232  1
  Fe  Fe91  1  0.241901  0.024872  0.358411  1
  Fe  Fe92  1  0.928580  0.397873  0.303853  1
  Fe  Fe93  1  0.084495  0.710066  0.331269  1
  Fe  Fe94  1  0.952591  0.946256  0.351827  1
  Fe  Fe95  1  0.639592  0.319555  0.299769  1
  Fe  Fe96  1  0.794052  0.629166  0.325807  1
  Fe  Fe97  1  0.136734  0.814689  0.427930  1
  Fe  Fe98  1  0.294826  0.130885  0.455796  1
  Fe  Fe99  1  0.979133  0.499449  0.400132  1
  Fe  Fe100  1  0.216040  0.973225  0.442050  1
  Fe  Fe101  1  0.899779  0.340686  0.385748  1
  Fe  Fe102  1  0.058032  0.657200  0.413743  1
  Fe  Fe103  1  0.926335  0.893852  0.434880  1
  Fe  Fe104  1  0.610663  0.262481  0.378986  1
  Fe  Fe105  1  0.768707  0.578572  0.406898  1
  Fe  Fe106  1  0.979133  0.999449  0.400132  1
  Fe  Fe107  1  0.136734  0.314689  0.427930  1
  Fe  Fe108  1  0.294826  0.630885  0.455796  1
  Fe  Fe109  1  0.899779  0.840686  0.385748  1
  Fe  Fe110  1  0.058032  0.157200  0.413743  1
  Fe  Fe111  1  0.216040  0.473225  0.442050  1
  Fe  Fe112  1  0.610663  0.762481  0.378986  1
  Fe  Fe113  1  0.768707  0.078572  0.406898  1
  Fe  Fe114  1  0.926335  0.393852  0.434880  1
  Fe  Fe115  1  0.479133  0.999449  0.400132  1
  Fe  Fe116  1  0.636734  0.314689  0.427930  1
  Fe  Fe117  1  0.794826  0.630885  0.455796  1
  Fe  Fe118  1  0.399779  0.840686  0.385748  1
  Fe  Fe119  1  0.558032  0.157200  0.413743  1
  Fe  Fe120  1  0.716040  0.473225  0.442050  1
  Fe  Fe121  1  0.110663  0.762481  0.378986  1
  Fe  Fe122  1  0.268707  0.078572  0.406898  1
  Fe  Fe123  1  0.426335  0.393852  0.434880  1
  Fe  Fe124  1  0.636734  0.814689  0.427930  1
  Fe  Fe125  1  0.794826  0.130885  0.455796  1
  Fe  Fe126  1  0.479133  0.499449  0.400132  1
  Fe  Fe127  1  0.716040  0.973225  0.442050  1
  Fe  Fe128  1  0.399779  0.340686  0.385748  1
  Fe  Fe129  1  0.558032  0.657200  0.413743  1
  Fe  Fe130  1  0.426335  0.893852  0.434880  1
  Fe  Fe131  1  0.110663  0.262481  0.378986  1
  Fe  Fe132  1  0.268707  0.578572  0.406898  1
  Fe  Fe133  1  0.610533  0.762343  0.511561  1
  Fe  Fe134  1  0.768353  0.078007  0.539409  1
  Fe  Fe135  1  0.452693  0.446640  0.483718  1
  Fe  Fe136  1  0.689471  0.920163  0.525516  1
  Fe  Fe137  1  0.373735  0.288648  0.469774  1
  Fe  Fe138  1  0.531597  0.604395  0.497629  1
  Fe  Fe139  1  0.400029  0.841306  0.518562  1
  Fe  Fe140  1  0.084211  0.209629  0.462761  1
  Fe  Fe141  1  0.242168  0.525562  0.490706  1
  Fe  Fe142  1  0.452693  0.946640  0.483718  1
  Fe  Fe143  1  0.610533  0.262343  0.511561  1
  Fe  Fe144  1  0.768353  0.578007  0.539409  1
  Fe  Fe145  1  0.373735  0.788648  0.469774  1
  Fe  Fe146  1  0.531597  0.104395  0.497629  1
  Fe  Fe147  1  0.689471  0.420163  0.525516  1
  Fe  Fe148  1  0.084211  0.709629  0.462761  1
  Fe  Fe149  1  0.242168  0.025562  0.490706  1
  Fe  Fe150  1  0.400029  0.341306  0.518562  1
  Fe  Fe151  1  0.952693  0.946640  0.483718  1
  Fe  Fe152  1  0.110533  0.262343  0.511561  1
  Fe  Fe153  1  0.268353  0.578007  0.539409  1
  Fe  Fe154  1  0.873735  0.788648  0.469774  1
  Fe  Fe155  1  0.031597  0.104395  0.497629  1
  Fe  Fe156  1  0.189471  0.420163  0.525516  1
  Fe  Fe157  1  0.584211  0.709629  0.462761  1
  Fe  Fe158  1  0.742168  0.025562  0.490706  1
  Fe  Fe159  1  0.900029  0.341306  0.518562  1
  Fe  Fe160  1  0.110533  0.762343  0.511561  1
  Fe  Fe161  1  0.268353  0.078007  0.539409  1
  Fe  Fe162  1  0.952693  0.446640  0.483718  1
  Fe  Fe163  1  0.189471  0.920163  0.525516  1
  Fe  Fe164  1  0.873735  0.288648  0.469774  1
  Fe  Fe165  1  0.031597  0.604395  0.497629  1
  Fe  Fe166  1  0.900029  0.841306  0.518562  1
  Fe  Fe167  1  0.584211  0.209629  0.462761  1
  Fe  Fe168  1  0.742168  0.525562  0.490706  1
  Fe  Fe169  1  0.084201  0.709738  0.595316  1
  Fe  Fe170  1  0.242217  0.025796  0.623311  1
  Fe  Fe171  1  0.926273  0.393868  0.567460  1
  Fe  Fe172  1  0.162944  0.867184  0.609091  1
  Fe  Fe173  1  0.847383  0.236008  0.553403  1
  Fe  Fe174  1  0.005240  0.551742  0.581232  1
  Fe  Fe175  1  0.873609  0.788529  0.602246  1
  Fe  Fe176  1  0.557899  0.157070  0.546420  1
  Fe  Fe177  1  0.715728  0.472748  0.574403  1
  Fe  Fe178  1  0.926273  0.893868  0.567460  1
  Fe  Fe179  1  0.084201  0.209738  0.595316  1
  Fe  Fe180  1  0.242217  0.525796  0.623311  1
  Fe  Fe181  1  0.847383  0.736008  0.553403  1
  Fe  Fe182  1  0.005240  0.051742  0.581232  1
  Fe  Fe183  1  0.162944  0.367184  0.609091  1
  Fe  Fe184  1  0.557899  0.657070  0.546420  1
  Fe  Fe185  1  0.715728  0.972748  0.574403  1
  Fe  Fe186  1  0.873609  0.288529  0.602246  1
  Fe  Fe187  1  0.426273  0.893868  0.567460  1
  Fe  Fe188  1  0.584201  0.209738  0.595316  1
  Fe  Fe189  1  0.742217  0.525796  0.623311  1
  Fe  Fe190  1  0.347383  0.736008  0.553403  1
  Fe  Fe191  1  0.505240  0.051742  0.581232  1
  Fe  Fe192  1  0.662944  0.367184  0.609091  1
  Fe  Fe193  1  0.057899  0.657070  0.546420  1
  Fe  Fe194  1  0.215728  0.972748  0.574403  1
  Fe  Fe195  1  0.373609  0.288529  0.602246  1
  Fe  Fe196  1  0.584201  0.709738  0.595316  1
  Fe  Fe197  1  0.742217  0.025796  0.623311  1
  Fe  Fe198  1  0.426273  0.393868  0.567460  1
  Fe  Fe199  1  0.662944  0.867184  0.609091  1
  Fe  Fe200  1  0.347383  0.236008  0.553403  1
  Fe  Fe201  1  0.505240  0.551742  0.581232  1
  Fe  Fe202  1  0.373609  0.788529  0.602246  1
  Fe  Fe203  1  0.057899  0.157070  0.546420  1
  Fe  Fe204  1  0.215728  0.472748  0.574403  1
  Fe  Fe205  1  0.557069  0.655584  0.677966  1
  Fe  Fe206  1  0.713574  0.968757  0.703967  1
  Fe  Fe207  1  0.400107  0.341594  0.650768  1
  Fe  Fe208  1  0.637656  0.816682  0.692016  1
  Fe  Fe209  1  0.320737  0.182783  0.636769  1
  Fe  Fe210  1  0.479079  0.499499  0.665762  1
  Fe  Fe211  1  0.347877  0.737158  0.683082  1
  Fe  Fe212  1  0.031423  0.104181  0.629960  1
  Fe  Fe213  1  0.189124  0.419633  0.657111  1
  Fe  Fe214  1  0.400107  0.841594  0.650768  1
  Fe  Fe215  1  0.557069  0.155584  0.677966  1
  Fe  Fe216  1  0.713574  0.468757  0.703967  1
  Fe  Fe217  1  0.320737  0.682783  0.636769  1
  Fe  Fe218  1  0.479079  0.999499  0.665762  1
  Fe  Fe219  1  0.637656  0.316682  0.692016  1
  Fe  Fe220  1  0.031423  0.604181  0.629960  1
  Fe  Fe221  1  0.189124  0.919633  0.657111  1
  Fe  Fe222  1  0.347877  0.237158  0.683082  1
  Fe  Fe223  1  0.900107  0.841594  0.650768  1
  Fe  Fe224  1  0.057069  0.155584  0.677966  1
  Fe  Fe225  1  0.213574  0.468757  0.703967  1
  Fe  Fe226  1  0.820737  0.682783  0.636769  1
  Fe  Fe227  1  0.979079  0.999499  0.665762  1
  Fe  Fe228  1  0.137656  0.316682  0.692016  1
  Fe  Fe229  1  0.531423  0.604181  0.629960  1
  Fe  Fe230  1  0.689124  0.919633  0.657111  1
  Fe  Fe231  1  0.847877  0.237158  0.683082  1
  Fe  Fe232  1  0.057069  0.655584  0.677966  1
  Fe  Fe233  1  0.213574  0.968757  0.703967  1
  Fe  Fe234  1  0.900107  0.341594  0.650768  1
  Fe  Fe235  1  0.137656  0.816682  0.692016  1
  Fe  Fe236  1  0.820737  0.182783  0.636769  1
  Fe  Fe237  1  0.979079  0.499499  0.665762  1
  Fe  Fe238  1  0.847877  0.737158  0.683082  1
  Fe  Fe239  1  0.531423  0.104181  0.629960  1
  Fe  Fe240  1  0.689124  0.419633  0.657111  1
