# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96357772
_cell_length_b   10.68270667
_cell_length_c   49.33353138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V27 Fe27'
_cell_volume   1561.85182275
_cell_formula_units_Z   27
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  0.500801  0.180819  0.320933  1
  V  V2  1  0.500801  0.946151  0.288375  1
  V  V3  1  0.500801  0.566126  0.305155  1
  V  V4  1  0.500801  0.026595  0.371140  1
  V  V5  1  0.500801  0.795398  0.337776  1
  V  V6  1  0.500801  0.411246  0.354222  1
  V  V7  1  0.500801  0.872811  0.421242  1
  V  V8  1  0.500801  0.641864  0.387890  1
  V  V9  1  0.500801  0.257267  0.404467  1
  V  V10  1  0.500801  0.718948  0.471383  1
  V  V11  1  0.500801  0.488052  0.437942  1
  V  V12  1  0.500801  0.103584  0.454646  1
  V  V13  1  0.500801  0.565186  0.521509  1
  V  V14  1  0.500801  0.334331  0.488079  1
  V  V15  1  0.500801  0.949748  0.504807  1
  V  V16  1  0.500801  0.411441  0.571621  1
  V  V17  1  0.500801  0.180513  0.538213  1
  V  V18  1  0.500801  0.795963  0.554965  1
  V  V19  1  0.500801  0.257555  0.621666  1
  V  V20  1  0.500801  0.026560  0.588384  1
  V  V21  1  0.500801  0.642407  0.605074  1
  V  V22  1  0.500801  0.103586  0.671876  1
  V  V23  1  0.500801  0.872528  0.638815  1
  V  V24  1  0.500801  0.488947  0.655221  1
  V  V25  1  0.500801  0.956888  0.720390  1
  V  V26  1  0.500801  0.718665  0.688372  1
  V  V27  1  0.500801  0.334555  0.704403  1
  Fe  Fe28  1  0.000801  0.373198  0.313467  1
  Fe  Fe29  1  0.000801  0.131831  0.281774  1
  Fe  Fe30  1  0.000801  0.756949  0.297527  1
  Fe  Fe31  1  0.000801  0.219023  0.362477  1
  Fe  Fe32  1  0.000801  0.988619  0.329002  1
  Fe  Fe33  1  0.000801  0.602855  0.345915  1
  Fe  Fe34  1  0.000801  0.065171  0.412864  1
  Fe  Fe35  1  0.000801  0.834341  0.379550  1
  Fe  Fe36  1  0.000801  0.449469  0.396169  1
  Fe  Fe37  1  0.000801  0.911275  0.463024  1
  Fe  Fe38  1  0.000801  0.680399  0.429622  1
  Fe  Fe39  1  0.000801  0.295822  0.446282  1
  Fe  Fe40  1  0.000801  0.757472  0.513161  1
  Fe  Fe41  1  0.000801  0.526626  0.479729  1
  Fe  Fe42  1  0.000801  0.142034  0.496437  1
  Fe  Fe43  1  0.000801  0.603759  0.563295  1
  Fe  Fe44  1  0.000801  0.372859  0.529854  1
  Fe  Fe45  1  0.000801  0.988196  0.546602  1
  Fe  Fe46  1  0.000801  0.450002  0.613350  1
  Fe  Fe47  1  0.000801  0.218984  0.579972  1
  Fe  Fe48  1  0.000801  0.834476  0.596809  1
  Fe  Fe49  1  0.000801  0.296660  0.663595  1
  Fe  Fe50  1  0.000801  0.065099  0.630037  1
  Fe  Fe51  1  0.000801  0.680554  0.647097  1
  Fe  Fe52  1  0.000801  0.143932  0.712048  1
  Fe  Fe53  1  0.000801  0.911072  0.680435  1
  Fe  Fe54  1  0.000801  0.524547  0.695467  1
