# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37912515
_cell_length_b   9.37992305
_cell_length_c   48.19230834
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V72 Fe72'
_cell_volume   4218.48911056
_cell_formula_units_Z   72
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  0.962074  0.295411  0.329688  1
  V  V2  1  0.295407  0.962077  0.329688  1
  V  V3  1  0.356692  0.356701  0.294091  1
  V  V4  1  0.628740  0.628744  0.329688  1
  V  V5  1  0.690026  0.023368  0.294091  1
  V  V6  1  0.658295  0.324966  0.311080  1
  V  V7  1  0.023359  0.690035  0.294091  1
  V  V8  1  0.991628  0.991633  0.311080  1
  V  V9  1  0.324962  0.658299  0.311080  1
  V  V10  1  0.871469  0.204803  0.385388  1
  V  V11  1  0.204802  0.871469  0.385388  1
  V  V12  1  0.265983  0.265987  0.347952  1
  V  V13  1  0.538136  0.538136  0.385388  1
  V  V14  1  0.599316  0.932653  0.347952  1
  V  V15  1  0.568525  0.235193  0.366658  1
  V  V16  1  0.932649  0.599320  0.347952  1
  V  V17  1  0.901858  0.901860  0.366658  1
  V  V18  1  0.235192  0.568527  0.366658  1
  V  V19  1  0.780676  0.114007  0.441019  1
  V  V20  1  0.114009  0.780673  0.441019  1
  V  V21  1  0.174576  0.174575  0.403832  1
  V  V22  1  0.447343  0.447340  0.441019  1
  V  V23  1  0.507909  0.841242  0.403832  1
  V  V24  1  0.477619  0.144284  0.422410  1
  V  V25  1  0.841242  0.507908  0.403832  1
  V  V26  1  0.810952  0.810951  0.422410  1
  V  V27  1  0.144286  0.477617  0.422410  1
  V  V28  1  0.689812  0.023139  0.496765  1
  V  V29  1  0.023145  0.689806  0.496765  1
  V  V30  1  0.083725  0.083721  0.459586  1
  V  V31  1  0.356479  0.356472  0.496765  1
  V  V32  1  0.417058  0.750387  0.459586  1
  V  V33  1  0.386771  0.053432  0.478180  1
  V  V34  1  0.750391  0.417054  0.459586  1
  V  V35  1  0.720104  0.720099  0.478180  1
  V  V36  1  0.053437  0.386765  0.478180  1
  V  V37  1  0.598938  0.932261  0.552507  1
  V  V38  1  0.932271  0.598928  0.552507  1
  V  V39  1  0.992850  0.992842  0.515342  1
  V  V40  1  0.265604  0.265594  0.552507  1
  V  V41  1  0.326183  0.659509  0.515342  1
  V  V42  1  0.295900  0.962558  0.533931  1
  V  V43  1  0.659516  0.326175  0.515342  1
  V  V44  1  0.629233  0.629225  0.533931  1
  V  V45  1  0.962567  0.295891  0.533931  1
  V  V46  1  0.508137  0.841457  0.608209  1
  V  V47  1  0.841471  0.508124  0.608209  1
  V  V48  1  0.901951  0.901940  0.571095  1
  V  V49  1  0.174804  0.174790  0.608209  1
  V  V50  1  0.235284  0.568606  0.571095  1
  V  V51  1  0.205024  0.871679  0.589696  1
  V  V52  1  0.568617  0.235273  0.571095  1
  V  V53  1  0.538357  0.538345  0.589696  1
  V  V54  1  0.871691  0.205012  0.589696  1
  V  V55  1  0.416820  0.750135  0.664018  1
  V  V56  1  0.750153  0.416801  0.664018  1
  V  V57  1  0.811209  0.811195  0.626888  1
  V  V58  1  0.083487  0.083468  0.664018  1
  V  V59  1  0.144542  0.477862  0.626888  1
  V  V60  1  0.113682  0.780333  0.645592  1
  V  V61  1  0.477876  0.144528  0.626888  1
  V  V62  1  0.447016  0.446999  0.645592  1
  V  V63  1  0.780349  0.113666  0.645592  1
  V  V64  1  0.328229  0.661542  0.717310  1
  V  V65  1  0.661562  0.328209  0.717310  1
  V  V66  1  0.721303  0.721285  0.682472  1
  V  V67  1  0.994895  0.994876  0.717310  1
  V  V68  1  0.054636  0.387952  0.682472  1
  V  V69  1  0.024703  0.691354  0.700335  1
  V  V70  1  0.387969  0.054618  0.682472  1
  V  V71  1  0.358036  0.358021  0.700335  1
  V  V72  1  0.691369  0.024687  0.700335  1
  Fe  Fe73  1  0.867276  0.200611  0.286178  1
  Fe  Fe74  1  0.200609  0.867277  0.286178  1
  Fe  Fe75  1  0.172938  0.172939  0.303437  1
  Fe  Fe76  1  0.533942  0.533944  0.286178  1
  Fe  Fe77  1  0.506272  0.839606  0.303437  1
  Fe  Fe78  1  0.477545  0.144219  0.320530  1
  Fe  Fe79  1  0.839605  0.506272  0.303437  1
  Fe  Fe80  1  0.810879  0.810886  0.320530  1
  Fe  Fe81  1  0.144212  0.477552  0.320530  1
  Fe  Fe82  1  0.781154  0.114492  0.338741  1
  Fe  Fe83  1  0.114488  0.781158  0.338741  1
  Fe  Fe84  1  0.083928  0.083931  0.357131  1
  Fe  Fe85  1  0.447821  0.447825  0.338741  1
  Fe  Fe86  1  0.417261  0.750598  0.357131  1
  Fe  Fe87  1  0.386564  0.053233  0.375884  1
  Fe  Fe88  1  0.750594  0.417264  0.357131  1
  Fe  Fe89  1  0.719898  0.719899  0.375884  1
  Fe  Fe90  1  0.053231  0.386566  0.375884  1
  Fe  Fe91  1  0.689674  0.023007  0.394596  1
  Fe  Fe92  1  0.023007  0.689674  0.394596  1
  Fe  Fe93  1  0.992796  0.992795  0.413138  1
  Fe  Fe94  1  0.356340  0.356340  0.394596  1
  Fe  Fe95  1  0.326129  0.659461  0.413138  1
  Fe  Fe96  1  0.295892  0.962556  0.431730  1
  Fe  Fe97  1  0.659462  0.326128  0.413138  1
  Fe  Fe98  1  0.629225  0.629223  0.431730  1
  Fe  Fe99  1  0.962558  0.295889  0.431730  1
  Fe  Fe100  1  0.598864  0.932194  0.450302  1
  Fe  Fe101  1  0.932198  0.598861  0.450302  1
  Fe  Fe102  1  0.901893  0.901888  0.468887  1
  Fe  Fe103  1  0.265531  0.265528  0.450302  1
  Fe  Fe104  1  0.235226  0.568555  0.468887  1
  Fe  Fe105  1  0.204958  0.871618  0.487474  1
  Fe  Fe106  1  0.568559  0.235221  0.468887  1
  Fe  Fe107  1  0.538291  0.538285  0.487474  1
  Fe  Fe108  1  0.871624  0.204952  0.487474  1
  Fe  Fe109  1  0.507992  0.841318  0.506049  1
  Fe  Fe110  1  0.841325  0.507985  0.506049  1
  Fe  Fe111  1  0.811043  0.811035  0.524636  1
  Fe  Fe112  1  0.174658  0.174651  0.506049  1
  Fe  Fe113  1  0.144376  0.477701  0.524636  1
  Fe  Fe114  1  0.114093  0.780750  0.543229  1
  Fe  Fe115  1  0.477709  0.144368  0.524636  1
  Fe  Fe116  1  0.447426  0.447417  0.543229  1
  Fe  Fe117  1  0.780760  0.114084  0.543229  1
  Fe  Fe118  1  0.417109  0.750431  0.561800  1
  Fe  Fe119  1  0.750442  0.417098  0.561800  1
  Fe  Fe120  1  0.720162  0.720151  0.580395  1
  Fe  Fe121  1  0.083775  0.083765  0.561800  1
  Fe  Fe122  1  0.053496  0.386818  0.580395  1
  Fe  Fe123  1  0.023212  0.689866  0.598966  1
  Fe  Fe124  1  0.386829  0.053484  0.580395  1
  Fe  Fe125  1  0.356546  0.356533  0.598966  1
  Fe  Fe126  1  0.689879  0.023200  0.598966  1
  Fe  Fe127  1  0.326330  0.659650  0.617466  1
  Fe  Fe128  1  0.659664  0.326317  0.617466  1
  Fe  Fe129  1  0.629514  0.629499  0.636213  1
  Fe  Fe130  1  0.992997  0.992983  0.617466  1
  Fe  Fe131  1  0.962848  0.296165  0.636213  1
  Fe  Fe132  1  0.931876  0.598526  0.654855  1
  Fe  Fe133  1  0.296181  0.962832  0.636213  1
  Fe  Fe134  1  0.265209  0.265193  0.654855  1
  Fe  Fe135  1  0.598542  0.931859  0.654855  1
  Fe  Fe136  1  0.235171  0.568487  0.673222  1
  Fe  Fe137  1  0.568504  0.235154  0.673222  1
  Fe  Fe138  1  0.538716  0.538696  0.691320  1
  Fe  Fe139  1  0.901837  0.901820  0.673222  1
  Fe  Fe140  1  0.872050  0.205363  0.691320  1
  Fe  Fe141  1  0.841179  0.507830  0.707896  1
  Fe  Fe142  1  0.205383  0.872030  0.691320  1
  Fe  Fe143  1  0.174512  0.174497  0.707896  1
  Fe  Fe144  1  0.507846  0.841164  0.707896  1
