# generated using pymatgen
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92198882
_cell_length_b   4.02381388
_cell_length_c   8.03140920
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe3
_chemical_formula_sum   'V2 Fe6'
_cell_volume   94.42960827
_cell_formula_units_Z   2
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  V0  1  0.00000000  0.50000000  0.00000000  1
  V  V1  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.25298700  1
  Fe  Fe3  1  0.50000000  0.50000000  0.74701300  1
  Fe  Fe4  1  0.50000000  0.50000000  0.25298700  1
  Fe  Fe5  1  0.00000000  0.00000000  0.74701300  1
  Fe  Fe6  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.50000000  1
