# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96352597
_cell_length_b   6.63076360
_cell_length_c   47.68332018
_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   'V16 Fe16'
_cell_volume   936.998227863
_cell_formula_units_Z   16
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  0.500809  0.075997  0.326967  1
  V  V2  1  0.500809  0.673612  0.299979  1
  V  V3  1  0.500809  0.875454  0.382715  1
  V  V4  1  0.500809  0.475734  0.354733  1
  V  V5  1  0.500809  0.675612  0.438371  1
  V  V6  1  0.500809  0.275491  0.410499  1
  V  V7  1  0.500809  0.475706  0.494122  1
  V  V8  1  0.500809  0.075670  0.466242  1
  V  V9  1  0.500809  0.275807  0.549860  1
  V  V10  1  0.500809  0.875749  0.521983  1
  V  V11  1  0.500809  0.076101  0.605545  1
  V  V12  1  0.500809  0.675699  0.577731  1
  V  V13  1  0.500809  0.875806  0.661294  1
  V  V14  1  0.500809  0.475688  0.633693  1
  V  V15  1  0.500809  0.683868  0.715208  1
  V  V16  1  0.500809  0.275640  0.688776  1
  Fe  Fe17  1  0.000809  0.375765  0.314031  1
  Fe  Fe18  1  0.000809  0.963474  0.287964  1
  Fe  Fe19  1  0.000809  0.175512  0.368538  1
  Fe  Fe20  1  0.000809  0.776121  0.340534  1
  Fe  Fe21  1  0.000809  0.975679  0.424449  1
  Fe  Fe22  1  0.000809  0.575510  0.396602  1
  Fe  Fe23  1  0.000809  0.775667  0.480184  1
  Fe  Fe24  1  0.000809  0.375637  0.452313  1
  Fe  Fe25  1  0.000809  0.575760  0.535933  1
  Fe  Fe26  1  0.000809  0.175727  0.508048  1
  Fe  Fe27  1  0.000809  0.375976  0.591699  1
  Fe  Fe28  1  0.000809  0.975796  0.563783  1
  Fe  Fe29  1  0.000809  0.175976  0.647502  1
  Fe  Fe30  1  0.000809  0.775774  0.619412  1
  Fe  Fe31  1  0.000809  0.974317  0.701438  1
  Fe  Fe32  1  0.000809  0.575623  0.675340  1
