data_MgVSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVSb2
_chemical_formula_sum   'Mg1 V1 Sb2'
_cell_volume   82.5
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.39  0.39  0.0  1.0
  Sb  Sb1  1  0.0  0.39  0.8  1.0
  Sb  Sb2  1  0.39  0.0  0.8  1.0

data_MgVSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgVSb2
_chemical_formula_sum   'Mg2 V2 Sb4'
_cell_volume   165.0
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  V  V1  2  0.39  0.0  0.0  1.0
  Sb  Sb2  4  0.2  0.2  0.8  1.0

Mg V Sb Sb
Mg V Sb Sb 0 3 o o - 0 2 o o - 1 2 o o - 1 3 o o - 
MgVSb2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgVSb2 clusters. Mg(1) is bonded in a 2-coordinate geometry to two equivalent Sb(1) atoms. Both Mg(1)-Sb(1) bond lengths are 2.02 Å. V(1) is bonded in a 2-coordinate geometry to two equivalent Sb(1) atoms. Both V(1)-Sb(1) bond lengths are 2.02 Å. Sb(1) is bonded in a 2-coordinate geometry to one Mg(1) and one V(1) atom.