# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96484291
_cell_length_b   2.96484291
_cell_length_c   47.36446194
_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   'V7 Fe7'
_cell_volume   416.347520227
_cell_formula_units_Z   7
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  0.500587  0.500587  0.328949  1
  V  V2  1  0.500587  0.500587  0.391613  1
  V  V3  1  0.500587  0.500587  0.454242  1
  V  V4  1  0.500587  0.500587  0.516978  1
  V  V5  1  0.500587  0.500587  0.579708  1
  V  V6  1  0.500587  0.500587  0.642652  1
  V  V7  1  0.500587  0.500587  0.703579  1
  Fe  Fe8  1  0.000587  0.000587  0.299904  1
  Fe  Fe9  1  0.000587  0.000587  0.359843  1
  Fe  Fe10  1  0.000587  0.000587  0.422893  1
  Fe  Fe11  1  0.000587  0.000587  0.485622  1
  Fe  Fe12  1  0.000587  0.000587  0.548354  1
  Fe  Fe13  1  0.000587  0.000587  0.610998  1
  Fe  Fe14  1  0.000587  0.000587  0.673689  1
