data_V2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeSi
_chemical_formula_sum   'V2 Fe1 Si1'
_cell_volume   49.14
_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  V2  1  0.32  0.32  0.88  1.0
  V  V3  1  0.32  0.32  0.17  1.0
  Fe  Fe0  1  0.0  0.0  0.53  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_V2FeSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2FeSi
_chemical_formula_sum   'V4 Fe2 Si2'
_cell_volume   98.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.32  0.0  0.17  1.0
  V  V1  2  0.32  0.0  0.88  1.0
  Fe  Fe2  2  0.0  0.0  0.53  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

V V Fe Si
V V Fe Si 0 3 o o + 0 1 o o + 0 2 + o o 0 2 o + o 0 2 o o o 1 3 o o o 1 2 + o o 1 2 o + o 1 2 o o o 2 2 + o o 2 2 o + o 
V2FeSi crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to three equivalent Fe(1) and one Si(1) atom. There is one shorter (2.77 Å) and two longer (3.20 Å) V(1)-Fe(1) bond lengths. The V(1)-Si(1) bond length is 1.45 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to three equivalent Fe(1) and one Si(1) atom. There is one shorter (2.77 Å) and two longer (3.20 Å) V(2)-Fe(1) bond lengths. The V(2)-Si(1) bond length is 1.70 Å. Fe(1) is bonded in a 10-coordinate geometry to three equivalent V(1), three equivalent V(2), and four equivalent Fe(1) atoms. All Fe(1)-Fe(1) bond lengths are 2.64 Å. Si(1) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom.