data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   4.31
_cell_angle_alpha   99.49
_cell_angle_beta   99.49
_cell_angle_gamma   33.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe3
_chemical_formula_sum   'V1 Fe3'
_cell_volume   44.27
_cell_formula_units_Z   1
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  V3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.08  0.0  0.14  1.0
  Fe  Fe1  1  0.47  0.0  0.11  1.0
  Fe  Fe2  1  0.77  0.0  0.12  1.0

data_VFe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   4.31
_cell_length_c   4.33
_cell_angle_alpha   99.49
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe3
_chemical_formula_sum   'V1 Fe3'
_cell_volume   44.27
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.11  0.47  1.0
  Fe  Fe2  1  0.0  0.12  0.77  1.0
  Fe  Fe3  1  0.0  0.14  0.08  1.0

V Fe Fe Fe