data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53
_cell_length_b   4.13
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V2 Fe2'
_cell_volume   45.8
_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  V2  1  0.0  0.0  0.37  1.0
  V  V3  1  0.27  0.07  0.02  1.0
  Fe  Fe0  1  0.27  0.0  0.56  1.0
  Fe  Fe1  1  0.0  0.07  0.83  1.0

data_VFe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.53
_cell_length_b   4.13
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VFe
_chemical_formula_sum   'V2 Fe2'
_cell_volume   45.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.03  0.83  1.0
  Fe  Fe1  2  0.13  0.97  0.37  1.0

V V Fe Fe