# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62737242
_cell_length_b   6.63106842
_cell_length_c   48.36205037
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V36 Fe36'
_cell_volume   2082.40504236
_cell_formula_units_Z   36
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  0.792170  0.792145  0.289667  1
  V  V2  1  0.292170  0.292145  0.289667  1
  V  V3  1  0.207132  0.707066  0.313074  1
  V  V4  1  0.707132  0.207066  0.313074  1
  V  V5  1  0.625537  0.625475  0.337917  1
  V  V6  1  0.125537  0.125475  0.337917  1
  V  V7  1  0.042163  0.542078  0.363167  1
  V  V8  1  0.542163  0.042078  0.363167  1
  V  V9  1  0.458865  0.458762  0.388310  1
  V  V10  1  0.958865  0.958762  0.388310  1
  V  V11  1  0.875512  0.375391  0.413337  1
  V  V12  1  0.375512  0.875391  0.413337  1
  V  V13  1  0.292218  0.292079  0.438427  1
  V  V14  1  0.792218  0.792079  0.438427  1
  V  V15  1  0.708933  0.208777  0.463510  1
  V  V16  1  0.208933  0.708777  0.463510  1
  V  V17  1  0.125640  0.125465  0.488601  1
  V  V18  1  0.625640  0.625465  0.488601  1
  V  V19  1  0.542346  0.042153  0.513683  1
  V  V20  1  0.042346  0.542153  0.513683  1
  V  V21  1  0.959052  0.958841  0.538774  1
  V  V22  1  0.459052  0.458841  0.538774  1
  V  V23  1  0.375767  0.875539  0.563857  1
  V  V24  1  0.875767  0.375539  0.563857  1
  V  V25  1  0.792473  0.792227  0.588948  1
  V  V26  1  0.292473  0.292227  0.588948  1
  V  V27  1  0.209121  0.708856  0.613975  1
  V  V28  1  0.709121  0.208856  0.613975  1
  V  V29  1  0.625822  0.625539  0.639118  1
  V  V30  1  0.125822  0.125539  0.639118  1
  V  V31  1  0.042449  0.542142  0.664367  1
  V  V32  1  0.542449  0.042142  0.664367  1
  V  V33  1  0.460854  0.460552  0.689210  1
  V  V34  1  0.960854  0.960552  0.689210  1
  V  V35  1  0.875815  0.375473  0.712617  1
  V  V36  1  0.375815  0.875473  0.712617  1
  Fe  Fe37  1  0.539990  0.539894  0.290311  1
  Fe  Fe38  1  0.039990  0.039894  0.290311  1
  Fe  Fe39  1  0.958855  0.458811  0.313380  1
  Fe  Fe40  1  0.458855  0.958811  0.313380  1
  Fe  Fe41  1  0.375619  0.375551  0.338083  1
  Fe  Fe42  1  0.875619  0.875551  0.338083  1
  Fe  Fe43  1  0.792099  0.292017  0.363054  1
  Fe  Fe44  1  0.292099  0.792017  0.363054  1
  Fe  Fe45  1  0.208731  0.208627  0.388278  1
  Fe  Fe46  1  0.708731  0.708627  0.388278  1
  Fe  Fe47  1  0.625546  0.125426  0.413335  1
  Fe  Fe48  1  0.125546  0.625426  0.413335  1
  Fe  Fe49  1  0.042240  0.042100  0.438437  1
  Fe  Fe50  1  0.542240  0.542100  0.438437  1
  Fe  Fe51  1  0.458936  0.958779  0.463514  1
  Fe  Fe52  1  0.958936  0.458779  0.463514  1
  Fe  Fe53  1  0.875638  0.875463  0.488601  1
  Fe  Fe54  1  0.375638  0.375463  0.488601  1
  Fe  Fe55  1  0.292347  0.792154  0.513683  1
  Fe  Fe56  1  0.792347  0.292154  0.513683  1
  Fe  Fe57  1  0.709049  0.708838  0.538770  1
  Fe  Fe58  1  0.209049  0.208838  0.538770  1
  Fe  Fe59  1  0.125745  0.625517  0.563847  1
  Fe  Fe60  1  0.625745  0.125517  0.563847  1
  Fe  Fe61  1  0.542440  0.542192  0.588949  1
  Fe  Fe62  1  0.042440  0.042192  0.588949  1
  Fe  Fe63  1  0.959255  0.458990  0.614006  1
  Fe  Fe64  1  0.459255  0.958990  0.614006  1
  Fe  Fe65  1  0.375886  0.375601  0.639230  1
  Fe  Fe66  1  0.875886  0.875601  0.639230  1
  Fe  Fe67  1  0.792366  0.292067  0.664201  1
  Fe  Fe68  1  0.292366  0.792067  0.664201  1
  Fe  Fe69  1  0.209131  0.208807  0.688905  1
  Fe  Fe70  1  0.709131  0.708807  0.688905  1
  Fe  Fe71  1  0.627996  0.127724  0.711973  1
  Fe  Fe72  1  0.127996  0.627724  0.711973  1
