# generated using pymatgen
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27112455
_cell_length_b   13.06932974
_cell_length_c   50.58755119
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe3
_chemical_formula_sum   'V48 Fe144'
_cell_volume   5187.79477832
_cell_formula_units_Z   48
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  0.243831  0.549735  0.311975  1
  V  V2  1  0.025575  0.113140  0.276287  1
  V  V3  1  0.130991  0.823945  0.294336  1
  V  V4  1  0.354581  0.271218  0.332066  1
  V  V5  1  0.630991  0.823945  0.294336  1
  V  V6  1  0.854581  0.271218  0.332066  1
  V  V7  1  0.743831  0.549735  0.311975  1
  V  V8  1  0.525575  0.113140  0.276287  1
  V  V9  1  0.688033  0.438147  0.390464  1
  V  V10  1  0.465313  0.992680  0.351065  1
  V  V11  1  0.577038  0.716143  0.371477  1
  V  V12  1  0.799076  0.160237  0.409473  1
  V  V13  1  0.077038  0.716143  0.371477  1
  V  V14  1  0.299076  0.160237  0.409473  1
  V  V15  1  0.188033  0.438147  0.390464  1
  V  V16  1  0.965313  0.992680  0.351065  1
  V  V17  1  0.132343  0.326798  0.467416  1
  V  V18  1  0.910321  0.882735  0.428849  1
  V  V19  1  0.021292  0.604687  0.448154  1
  V  V20  1  0.243500  0.049121  0.486664  1
  V  V21  1  0.521292  0.604687  0.448154  1
  V  V22  1  0.743500  0.049121  0.486664  1
  V  V23  1  0.632343  0.326798  0.467416  1
  V  V24  1  0.410321  0.882735  0.428849  1
  V  V25  1  0.576824  0.215796  0.544572  1
  V  V26  1  0.354613  0.771355  0.506028  1
  V  V27  1  0.465702  0.493541  0.525312  1
  V  V28  1  0.687852  0.937861  0.563848  1
  V  V29  1  0.965702  0.493541  0.525312  1
  V  V30  1  0.187852  0.937861  0.563848  1
  V  V31  1  0.076824  0.215796  0.544572  1
  V  V32  1  0.854613  0.771355  0.506028  1
  V  V33  1  0.021156  0.104495  0.621477  1
  V  V34  1  0.798905  0.659974  0.583127  1
  V  V35  1  0.910088  0.382348  0.602432  1
  V  V36  1  0.132690  0.827570  0.641139  1
  V  V37  1  0.410088  0.382348  0.602432  1
  V  V38  1  0.632690  0.827570  0.641139  1
  V  V39  1  0.521156  0.104495  0.621477  1
  V  V40  1  0.298905  0.659974  0.583127  1
  V  V41  1  0.465887  0.994000  0.698799  1
  V  V42  1  0.243425  0.549042  0.660561  1
  V  V43  1  0.354288  0.270787  0.680130  1
  V  V44  1  0.575789  0.713820  0.717708  1
  V  V45  1  0.854288  0.270787  0.680130  1
  V  V46  1  0.075789  0.713820  0.717708  1
  V  V47  1  0.965887  0.994000  0.698799  1
  V  V48  1  0.743425  0.549042  0.660561  1
  Fe  Fe49  1  0.548941  0.659939  0.323710  1
  Fe  Fe50  1  0.327056  0.216145  0.284969  1
  Fe  Fe51  1  0.659879  0.881786  0.342035  1
  Fe  Fe52  1  0.438383  0.438809  0.304687  1
  Fe  Fe53  1  0.354500  0.771035  0.332773  1
  Fe  Fe54  1  0.132007  0.326057  0.296326  1
  Fe  Fe55  1  0.437745  0.937497  0.302940  1
  Fe  Fe56  1  0.661054  0.384179  0.342197  1
  Fe  Fe57  1  0.328495  0.718897  0.285566  1
  Fe  Fe58  1  0.549379  0.160782  0.323371  1
  Fe  Fe59  1  0.023369  0.608526  0.278795  1
  Fe  Fe60  1  0.243357  0.048733  0.312903  1
  Fe  Fe61  1  0.937745  0.937497  0.302940  1
  Fe  Fe62  1  0.161054  0.384179  0.342197  1
  Fe  Fe63  1  0.828495  0.718897  0.285566  1
  Fe  Fe64  1  0.049379  0.160782  0.323371  1
  Fe  Fe65  1  0.523369  0.608526  0.278795  1
  Fe  Fe66  1  0.743357  0.048733  0.312903  1
  Fe  Fe67  1  0.048941  0.659939  0.323710  1
  Fe  Fe68  1  0.827056  0.216145  0.284969  1
  Fe  Fe69  1  0.159879  0.881786  0.342035  1
  Fe  Fe70  1  0.938383  0.438809  0.304687  1
  Fe  Fe71  1  0.854500  0.771035  0.332773  1
  Fe  Fe72  1  0.632007  0.326057  0.296326  1
  Fe  Fe73  1  0.993442  0.548983  0.399959  1
  Fe  Fe74  1  0.771109  0.104290  0.361213  1
  Fe  Fe75  1  0.104838  0.771750  0.419415  1
  Fe  Fe76  1  0.882429  0.326923  0.380475  1
  Fe  Fe77  1  0.799092  0.660270  0.409584  1
  Fe  Fe78  1  0.577079  0.216225  0.371045  1
  Fe  Fe79  1  0.882615  0.827314  0.380695  1
  Fe  Fe80  1  0.104540  0.271183  0.419192  1
  Fe  Fe81  1  0.771078  0.604219  0.361137  1
  Fe  Fe82  1  0.993461  0.048993  0.399601  1
  Fe  Fe83  1  0.465792  0.493656  0.351817  1
  Fe  Fe84  1  0.688076  0.938229  0.390183  1
  Fe  Fe85  1  0.382615  0.827314  0.380695  1
  Fe  Fe86  1  0.604540  0.271183  0.419192  1
  Fe  Fe87  1  0.271078  0.604219  0.361137  1
  Fe  Fe88  1  0.493461  0.048993  0.399601  1
  Fe  Fe89  1  0.965792  0.493656  0.351817  1
  Fe  Fe90  1  0.188076  0.938229  0.390183  1
  Fe  Fe91  1  0.493442  0.548983  0.399959  1
  Fe  Fe92  1  0.271109  0.104290  0.361213  1
  Fe  Fe93  1  0.604838  0.771750  0.419415  1
  Fe  Fe94  1  0.382429  0.326923  0.380475  1
  Fe  Fe95  1  0.299092  0.660270  0.409584  1
  Fe  Fe96  1  0.077079  0.216225  0.371045  1
  Fe  Fe97  1  0.437921  0.437971  0.477094  1
  Fe  Fe98  1  0.215828  0.993768  0.438419  1
  Fe  Fe99  1  0.549054  0.660219  0.496364  1
  Fe  Fe100  1  0.326811  0.215717  0.457735  1
  Fe  Fe101  1  0.243506  0.549133  0.486742  1
  Fe  Fe102  1  0.021253  0.104610  0.448030  1
  Fe  Fe103  1  0.326894  0.715907  0.457828  1
  Fe  Fe104  1  0.549026  0.160190  0.496338  1
  Fe  Fe105  1  0.215749  0.493585  0.438587  1
  Fe  Fe106  1  0.437968  0.938040  0.477051  1
  Fe  Fe107  1  0.910102  0.382300  0.428846  1
  Fe  Fe108  1  0.132473  0.827058  0.467486  1
  Fe  Fe109  1  0.826894  0.715907  0.457828  1
  Fe  Fe110  1  0.049026  0.160190  0.496338  1
  Fe  Fe111  1  0.715749  0.493585  0.438587  1
  Fe  Fe112  1  0.937968  0.938040  0.477051  1
  Fe  Fe113  1  0.410102  0.382300  0.428846  1
  Fe  Fe114  1  0.632473  0.827058  0.467486  1
  Fe  Fe115  1  0.937921  0.437971  0.477094  1
  Fe  Fe116  1  0.715828  0.993768  0.438419  1
  Fe  Fe117  1  0.049054  0.660219  0.496364  1
  Fe  Fe118  1  0.826811  0.215717  0.457735  1
  Fe  Fe119  1  0.743506  0.549133  0.486742  1
  Fe  Fe120  1  0.521253  0.104610  0.448030  1
  Fe  Fe121  1  0.882356  0.326876  0.554216  1
  Fe  Fe122  1  0.660166  0.882478  0.515652  1
  Fe  Fe123  1  0.993432  0.549011  0.573545  1
  Fe  Fe124  1  0.771242  0.104615  0.534888  1
  Fe  Fe125  1  0.687917  0.437990  0.563891  1
  Fe  Fe126  1  0.465678  0.993495  0.525248  1
  Fe  Fe127  1  0.771230  0.604616  0.534936  1
  Fe  Fe128  1  0.993393  0.048961  0.573391  1
  Fe  Fe129  1  0.660146  0.382414  0.515635  1
  Fe  Fe130  1  0.882310  0.826759  0.554236  1
  Fe  Fe131  1  0.354581  0.271292  0.505986  1
  Fe  Fe132  1  0.576789  0.715725  0.544600  1
  Fe  Fe133  1  0.271230  0.604616  0.534936  1
  Fe  Fe134  1  0.493393  0.048961  0.573391  1
  Fe  Fe135  1  0.160146  0.382414  0.515635  1
  Fe  Fe136  1  0.382310  0.826759  0.554236  1
  Fe  Fe137  1  0.854581  0.271292  0.505986  1
  Fe  Fe138  1  0.076789  0.715725  0.544600  1
  Fe  Fe139  1  0.382356  0.326876  0.554216  1
  Fe  Fe140  1  0.160166  0.882478  0.515652  1
  Fe  Fe141  1  0.493432  0.549011  0.573545  1
  Fe  Fe142  1  0.271242  0.104615  0.534888  1
  Fe  Fe143  1  0.187917  0.437990  0.563891  1
  Fe  Fe144  1  0.965678  0.993495  0.525248  1
  Fe  Fe145  1  0.326832  0.215861  0.631455  1
  Fe  Fe146  1  0.104522  0.771224  0.592876  1
  Fe  Fe147  1  0.437415  0.437012  0.650766  1
  Fe  Fe148  1  0.215667  0.993498  0.612000  1
  Fe  Fe149  1  0.132350  0.326889  0.641206  1
  Fe  Fe150  1  0.910089  0.882351  0.602457  1
  Fe  Fe151  1  0.215626  0.493441  0.612228  1
  Fe  Fe152  1  0.438118  0.938445  0.650727  1
  Fe  Fe153  1  0.104650  0.271455  0.592817  1
  Fe  Fe154  1  0.326722  0.715620  0.631222  1
  Fe  Fe155  1  0.799046  0.160258  0.583123  1
  Fe  Fe156  1  0.021106  0.604392  0.621811  1
  Fe  Fe157  1  0.715626  0.493441  0.612228  1
  Fe  Fe158  1  0.938118  0.938445  0.650727  1
  Fe  Fe159  1  0.604650  0.271455  0.592817  1
  Fe  Fe160  1  0.826722  0.715620  0.631222  1
  Fe  Fe161  1  0.299046  0.160258  0.583123  1
  Fe  Fe162  1  0.521106  0.604392  0.621811  1
  Fe  Fe163  1  0.826832  0.215861  0.631455  1
  Fe  Fe164  1  0.604522  0.771224  0.592876  1
  Fe  Fe165  1  0.937415  0.437012  0.650766  1
  Fe  Fe166  1  0.715667  0.993498  0.612000  1
  Fe  Fe167  1  0.632350  0.326889  0.641206  1
  Fe  Fe168  1  0.410089  0.882351  0.602457  1
  Fe  Fe169  1  0.770328  0.102916  0.707587  1
  Fe  Fe170  1  0.549209  0.660629  0.669833  1
  Fe  Fe171  1  0.880441  0.323216  0.725636  1
  Fe  Fe172  1  0.660269  0.882740  0.689911  1
  Fe  Fe173  1  0.574877  0.212051  0.715114  1
  Fe  Fe174  1  0.354379  0.770972  0.678752  1
  Fe  Fe175  1  0.659825  0.381888  0.689208  1
  Fe  Fe176  1  0.880113  0.822521  0.725065  1
  Fe  Fe177  1  0.548859  0.159915  0.669562  1
  Fe  Fe178  1  0.772676  0.607549  0.707904  1
  Fe  Fe179  1  0.243412  0.049027  0.660127  1
  Fe  Fe180  1  0.466680  0.495577  0.696878  1
  Fe  Fe181  1  0.159825  0.381888  0.689208  1
  Fe  Fe182  1  0.380113  0.822521  0.725065  1
  Fe  Fe183  1  0.048859  0.159915  0.669562  1
  Fe  Fe184  1  0.272676  0.607549  0.707904  1
  Fe  Fe185  1  0.743412  0.049027  0.660127  1
  Fe  Fe186  1  0.966680  0.495577  0.696878  1
  Fe  Fe187  1  0.270328  0.102916  0.707587  1
  Fe  Fe188  1  0.049209  0.660629  0.669833  1
  Fe  Fe189  1  0.380441  0.323216  0.725636  1
  Fe  Fe190  1  0.160269  0.882740  0.689911  1
  Fe  Fe191  1  0.074877  0.212051  0.715114  1
  Fe  Fe192  1  0.854379  0.770972  0.678752  1
