# generated using pymatgen
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81982355
_cell_length_b   18.50672565
_cell_length_c   49.91922941
_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   'V48 Fe144'
_cell_volume   5376.59442095
_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  1.002658  0.191244  0.341293  1
  V  V2  1  1.002658  0.891242  0.305056  1
  V  V3  1  1.002658  0.491783  0.379814  1
  V  V4  1  0.502658  0.341999  0.361328  1
  V  V5  1  0.502658  0.040726  0.323818  1
  V  V6  1  0.502658  0.743047  0.288132  1
  V  V7  1  0.502658  0.243047  0.288132  1
  V  V8  1  0.502658  0.841999  0.361328  1
  V  V9  1  0.502658  0.540726  0.323818  1
  V  V10  1  1.002658  0.391242  0.305056  1
  V  V11  1  1.002658  0.991783  0.379814  1
  V  V12  1  0.002658  0.691244  0.341293  1
  V  V13  1  1.002658  0.091619  0.453908  1
  V  V14  1  0.002658  0.791543  0.416743  1
  V  V15  1  1.002658  0.391509  0.491054  1
  V  V16  1  0.502658  0.241512  0.472447  1
  V  V17  1  0.502658  0.941654  0.435337  1
  V  V18  1  0.502658  0.641735  0.398193  1
  V  V19  1  0.502658  0.141735  0.398193  1
  V  V20  1  0.502658  0.741512  0.472447  1
  V  V21  1  0.502658  0.441654  0.435337  1
  V  V22  1  1.002658  0.291543  0.416743  1
  V  V23  1  1.002658  0.891509  0.491054  1
  V  V24  1  1.002658  0.591619  0.453908  1
  V  V25  1  0.002658  0.991409  0.565373  1
  V  V26  1  1.002658  0.691551  0.528263  1
  V  V27  1  1.002658  0.291328  0.602517  1
  V  V28  1  0.502658  0.141521  0.583967  1
  V  V29  1  0.502658  0.841445  0.546802  1
  V  V30  1  0.502658  0.541554  0.509656  1
  V  V31  1  0.502658  0.041554  0.509656  1
  V  V32  1  0.502658  0.641521  0.583967  1
  V  V33  1  0.502658  0.341445  0.546802  1
  V  V34  1  1.002658  0.191551  0.528263  1
  V  V35  1  1.002658  0.791328  0.602517  1
  V  V36  1  1.002658  0.491409  0.565373  1
  V  V37  1  1.002658  0.892338  0.676892  1
  V  V38  1  0.002658  0.591065  0.639382  1
  V  V39  1  1.002658  0.190017  0.712578  1
  V  V40  1  0.502658  0.041821  0.695655  1
  V  V41  1  0.502658  0.741820  0.659417  1
  V  V42  1  0.502658  0.441281  0.620896  1
  V  V43  1  0.502658  0.941281  0.620896  1
  V  V44  1  0.502658  0.541821  0.695655  1
  V  V45  1  0.502658  0.241820  0.659417  1
  V  V46  1  1.002658  0.091065  0.639382  1
  V  V47  1  1.002658  0.690017  0.712578  1
  V  V48  1  1.002658  0.392338  0.676892  1
  Fe  Fe49  1  0.752286  0.091979  0.360890  1
  Fe  Fe50  1  0.751306  0.792063  0.324599  1
  Fe  Fe51  1  0.756536  0.492181  0.288823  1
  Fe  Fe52  1  0.253030  0.091979  0.360890  1
  Fe  Fe53  1  0.254010  0.792063  0.324599  1
  Fe  Fe54  1  0.248780  0.492181  0.288823  1
  Fe  Fe55  1  0.502658  0.191538  0.342534  1
  Fe  Fe56  1  0.502658  0.890474  0.306688  1
  Fe  Fe57  1  0.502658  0.491757  0.379545  1
  Fe  Fe58  1  0.251206  0.241303  0.379412  1
  Fe  Fe59  1  0.251060  0.941506  0.342376  1
  Fe  Fe60  1  0.260199  0.641362  0.305327  1
  Fe  Fe61  1  0.754110  0.241303  0.379412  1
  Fe  Fe62  1  0.754256  0.941506  0.342376  1
  Fe  Fe63  1  0.745117  0.641362  0.305327  1
  Fe  Fe64  1  1.002658  0.341828  0.361183  1
  Fe  Fe65  1  1.002658  0.040886  0.325548  1
  Fe  Fe66  1  1.002658  0.745586  0.290151  1
  Fe  Fe67  1  0.260199  0.141362  0.305327  1
  Fe  Fe68  1  0.251206  0.741303  0.379412  1
  Fe  Fe69  1  0.251060  0.441506  0.342376  1
  Fe  Fe70  1  0.745117  0.141362  0.305327  1
  Fe  Fe71  1  0.754110  0.741303  0.379412  1
  Fe  Fe72  1  0.754256  0.441506  0.342376  1
  Fe  Fe73  1  1.002658  0.245586  0.290151  1
  Fe  Fe74  1  1.002658  0.841828  0.361183  1
  Fe  Fe75  1  1.002658  0.540886  0.325548  1
  Fe  Fe76  1  0.751306  0.292063  0.324599  1
  Fe  Fe77  1  0.756536  0.992181  0.288823  1
  Fe  Fe78  1  0.752286  0.591979  0.360890  1
  Fe  Fe79  1  0.254010  0.292063  0.324599  1
  Fe  Fe80  1  0.248780  0.992181  0.288823  1
  Fe  Fe81  1  0.253030  0.591979  0.360890  1
  Fe  Fe82  1  0.502658  0.390474  0.306688  1
  Fe  Fe83  1  0.502658  0.991757  0.379545  1
  Fe  Fe84  1  0.502658  0.691538  0.342534  1
  Fe  Fe85  1  0.752567  0.991590  0.472505  1
  Fe  Fe86  1  0.752858  0.691588  0.435282  1
  Fe  Fe87  1  0.753015  0.391683  0.398280  1
  Fe  Fe88  1  0.252748  0.991590  0.472505  1
  Fe  Fe89  1  0.252458  0.691588  0.435282  1
  Fe  Fe90  1  0.252300  0.391683  0.398280  1
  Fe  Fe91  1  0.502658  0.091653  0.453945  1
  Fe  Fe92  1  0.502658  0.791418  0.416654  1
  Fe  Fe93  1  0.502658  0.391529  0.491059  1
  Fe  Fe94  1  0.252522  0.141572  0.491079  1
  Fe  Fe95  1  0.252681  0.841550  0.453902  1
  Fe  Fe96  1  0.252855  0.541798  0.416779  1
  Fe  Fe97  1  0.752794  0.141572  0.491079  1
  Fe  Fe98  1  0.752635  0.841550  0.453902  1
  Fe  Fe99  1  0.752461  0.541798  0.416779  1
  Fe  Fe100  1  1.002658  0.241556  0.472485  1
  Fe  Fe101  1  1.002658  0.941686  0.435409  1
  Fe  Fe102  1  1.002658  0.641603  0.397993  1
  Fe  Fe103  1  0.252855  0.041798  0.416779  1
  Fe  Fe104  1  0.252522  0.641572  0.491079  1
  Fe  Fe105  1  0.252681  0.341550  0.453902  1
  Fe  Fe106  1  0.752461  0.041798  0.416779  1
  Fe  Fe107  1  0.752794  0.641572  0.491079  1
  Fe  Fe108  1  0.752635  0.341550  0.453902  1
  Fe  Fe109  1  1.002658  0.141603  0.397993  1
  Fe  Fe110  1  1.002658  0.741556  0.472485  1
  Fe  Fe111  1  1.002658  0.441686  0.435409  1
  Fe  Fe112  1  0.752858  0.191588  0.435282  1
  Fe  Fe113  1  0.753015  0.891683  0.398280  1
  Fe  Fe114  1  0.752567  0.491590  0.472505  1
  Fe  Fe115  1  0.252458  0.191588  0.435282  1
  Fe  Fe116  1  0.252300  0.891683  0.398280  1
  Fe  Fe117  1  0.252748  0.491590  0.472505  1
  Fe  Fe118  1  0.502658  0.291418  0.416654  1
  Fe  Fe119  1  0.502658  0.891529  0.491059  1
  Fe  Fe120  1  0.502658  0.591653  0.453945  1
  Fe  Fe121  1  0.752855  0.891265  0.583931  1
  Fe  Fe122  1  0.752681  0.591513  0.546808  1
  Fe  Fe123  1  0.752522  0.291491  0.509632  1
  Fe  Fe124  1  0.252461  0.891265  0.583931  1
  Fe  Fe125  1  0.252635  0.591513  0.546808  1
  Fe  Fe126  1  0.252794  0.291491  0.509632  1
  Fe  Fe127  1  0.502658  0.991377  0.565301  1
  Fe  Fe128  1  0.502658  0.691507  0.528225  1
  Fe  Fe129  1  0.502658  0.291461  0.602717  1
  Fe  Fe130  1  0.253015  0.041381  0.602430  1
  Fe  Fe131  1  0.252858  0.741475  0.565428  1
  Fe  Fe132  1  0.252567  0.441474  0.528205  1
  Fe  Fe133  1  0.752300  0.041381  0.602430  1
  Fe  Fe134  1  0.752458  0.741475  0.565428  1
  Fe  Fe135  1  0.752748  0.441474  0.528205  1
  Fe  Fe136  1  1.002658  0.141645  0.584056  1
  Fe  Fe137  1  1.002658  0.841411  0.546765  1
  Fe  Fe138  1  1.002658  0.541534  0.509651  1
  Fe  Fe139  1  0.252567  0.941474  0.528205  1
  Fe  Fe140  1  0.253015  0.541381  0.602430  1
  Fe  Fe141  1  0.252858  0.241475  0.565428  1
  Fe  Fe142  1  0.752748  0.941474  0.528205  1
  Fe  Fe143  1  0.752300  0.541381  0.602430  1
  Fe  Fe144  1  0.752458  0.241475  0.565428  1
  Fe  Fe145  1  1.002658  0.041534  0.509651  1
  Fe  Fe146  1  1.002658  0.641645  0.584056  1
  Fe  Fe147  1  1.002658  0.341411  0.546765  1
  Fe  Fe148  1  0.752681  0.091513  0.546808  1
  Fe  Fe149  1  0.752522  0.791491  0.509632  1
  Fe  Fe150  1  0.752855  0.391265  0.583931  1
  Fe  Fe151  1  0.252635  0.091513  0.546808  1
  Fe  Fe152  1  0.252794  0.791491  0.509632  1
  Fe  Fe153  1  0.252461  0.391265  0.583931  1
  Fe  Fe154  1  0.502658  0.191507  0.528225  1
  Fe  Fe155  1  0.502658  0.791461  0.602717  1
  Fe  Fe156  1  0.502658  0.491377  0.565301  1
  Fe  Fe157  1  0.760199  0.791701  0.695383  1
  Fe  Fe158  1  0.751060  0.491558  0.658334  1
  Fe  Fe159  1  0.751206  0.191761  0.621298  1
  Fe  Fe160  1  0.245117  0.791701  0.695383  1
  Fe  Fe161  1  0.254256  0.491558  0.658334  1
  Fe  Fe162  1  0.254110  0.191761  0.621298  1
  Fe  Fe163  1  0.502658  0.892178  0.675162  1
  Fe  Fe164  1  0.502658  0.591236  0.639527  1
  Fe  Fe165  1  0.502658  0.187478  0.710559  1
  Fe  Fe166  1  0.256536  0.940883  0.711887  1
  Fe  Fe167  1  0.251306  0.641001  0.676111  1
  Fe  Fe168  1  0.252286  0.341084  0.639820  1
  Fe  Fe169  1  0.748780  0.940883  0.711887  1
  Fe  Fe170  1  0.754010  0.641001  0.676111  1
  Fe  Fe171  1  0.753030  0.341084  0.639820  1
  Fe  Fe172  1  1.002658  0.042590  0.694022  1
  Fe  Fe173  1  1.002658  0.741526  0.658176  1
  Fe  Fe174  1  1.002658  0.441306  0.621165  1
  Fe  Fe175  1  0.252286  0.841084  0.639820  1
  Fe  Fe176  1  0.256536  0.440883  0.711887  1
  Fe  Fe177  1  0.251306  0.141001  0.676111  1
  Fe  Fe178  1  0.753030  0.841084  0.639820  1
  Fe  Fe179  1  0.748780  0.440883  0.711887  1
  Fe  Fe180  1  0.754010  0.141001  0.676111  1
  Fe  Fe181  1  1.002658  0.941306  0.621165  1
  Fe  Fe182  1  1.002658  0.542590  0.694022  1
  Fe  Fe183  1  1.002658  0.241526  0.658176  1
  Fe  Fe184  1  0.751060  0.991558  0.658334  1
  Fe  Fe185  1  0.751206  0.691761  0.621298  1
  Fe  Fe186  1  0.760199  0.291701  0.695383  1
  Fe  Fe187  1  0.254256  0.991558  0.658334  1
  Fe  Fe188  1  0.254110  0.691761  0.621298  1
  Fe  Fe189  1  0.245117  0.291701  0.695383  1
  Fe  Fe190  1  0.502658  0.091236  0.639527  1
  Fe  Fe191  1  0.502658  0.687478  0.710559  1
  Fe  Fe192  1  0.502658  0.392178  0.675162  1
