data_VFe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   3.97
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   104.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Si
_chemical_formula_sum   'V1 Fe2 Si1'
_cell_volume   46.55
_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  0.66  0.99  0.46  1.0
  Fe  Fe0  1  0.51  0.0  0.01  1.0
  Fe  Fe1  1  0.6  0.99  0.19  1.0
  Si  Si2  1  0.84  0.0  0.22  1.0

data_VFe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   3.97
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   104.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Si
_chemical_formula_sum   'V1 Fe2 Si1'
_cell_volume   46.55
_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  0.66  0.99  0.46  1.0
  Fe  Fe1  1  0.51  0.0  0.01  1.0
  Fe  Fe2  1  0.6  0.99  0.19  1.0
  Si  Si3  1  0.84  0.0  0.22  1.0

V Fe Fe Si
Fe2VSi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Fe2VSi cluster. V(1) is bonded in a 2-coordinate geometry to one Fe(2) and one Si(1) atom. The V(1)-Fe(2) bond length is 1.22 Å. The V(1)-Si(1) bond length is 1.28 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Fe(2) atom. The Fe(1)-Fe(2) bond length is 0.85 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one V(1), one Fe(1), and one Si(1) atom. The Fe(2)-Si(1) bond length is 0.59 Å. Si(1) is bonded in a single-bond geometry to one V(1) and one Fe(2) atom.