data_VFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.43
_cell_length_b   3.97
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2
_chemical_formula_sum   'V2 Fe4'
_cell_volume   66.56
_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  V4  1  0.81  0.0  0.29  1.0
  V  V5  1  0.62  0.0  0.59  1.0
  Fe  Fe0  1  0.81  0.99  0.74  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.62  0.99  0.15  1.0
  Fe  Fe3  1  0.0  0.99  0.44  1.0

data_VFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.43
_cell_length_b   3.97
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2
_chemical_formula_sum   'V2 Fe4'
_cell_volume   66.56
_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  0.62  0.0  0.59  1.0
  V  V1  1  0.81  0.0  0.29  1.0
  Fe  Fe2  1  -0.0  0.99  0.44  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Fe  Fe4  1  0.62  0.99  0.15  1.0
  Fe  Fe5  1  0.81  0.99  0.74  1.0

V V Fe Fe Fe Fe
V V Fe Fe Fe Fe 0 4 o - o 0 5 + - o 1 2 o - o 3 4 - - o 