data_Y2VSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2VSi
_chemical_formula_sum   'Y2 V1 Si1'
_cell_volume   89.94
_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
  Y  Y2  1  0.0  0.0  0.32  1.0
  Y  Y3  1  0.7  0.7  0.49  1.0
  V  V1  1  0.7  0.7  0.27  1.0
  Si  Si0  1  0.0  0.0  0.4  1.0

data_Y2VSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2VSi
_chemical_formula_sum   'Y4 V2 Si2'
_cell_volume   179.87
_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
  Y  Y0  2  0.0  0.0  0.32  1.0
  Y  Y1  2  0.2  0.5  0.49  1.0
  V  V2  2  0.2  0.5  0.27  1.0
  Si  Si3  2  0.0  0.0  0.4  1.0

Y Y V Si
Y Y V Si 0 3 o o o 0 1 - - o 0 2 - - o 1 3 + + o 1 2 o o o 2 3 + + o 
Y2VSi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2VSi clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one V(1) and one Si(1) atom. The Y(1)-V(1) bond length is 1.50 Å. The Y(1)-Si(1) bond length is 0.61 Å. In the second Y site, Y(2) is bonded in a 2-coordinate geometry to one V(1) and one Si(1) atom. The Y(2)-V(1) bond length is 1.68 Å. The Y(2)-Si(1) bond length is 1.60 Å. V(1) is bonded in a 2-coordinate geometry to one Y(1) and one Y(2) atom. Si(1) is bonded in a single-bond geometry to one Y(1) and one Y(2) atom.