data_Mg2VPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   131.93
_cell_angle_beta   131.93
_cell_angle_gamma   70.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VPb
_chemical_formula_sum   'Mg2 V1 Pb1'
_cell_volume   84.38
_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  0.19  0.2  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.4  1.0
  Pb  Pb2  1  0.19  0.0  0.2  1.0

data_Mg2VPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.38
_cell_angle_alpha   114.03
_cell_angle_beta   114.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VPb
_chemical_formula_sum   'Mg2 V1 Pb1'
_cell_volume   84.38
_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
  Mg  Mg1  1  0.99  0.19  0.99  1.0
  V  V2  1  0.6  0.0  0.6  1.0
  Pb  Pb3  1  0.8  0.0  0.99  1.0

Mg Mg V Pb
Mg2VPb is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2VPb cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one Mg(2), one V(1), and one Pb(1) atom. The Mg(1)-Mg(2) bond length is 0.85 Å. The Mg(1)-V(1) bond length is 1.91 Å. The Mg(1)-Pb(1) bond length is 1.18 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Mg(1) and one Pb(1) atom. The Mg(2)-Pb(1) bond length is 0.85 Å. V(1) is bonded in a 2-coordinate geometry to one Mg(1) and one Pb(1) atom. The V(1)-Pb(1) bond length is 1.91 Å. Pb(1) is bonded in a distorted single-bond geometry to one Mg(1), one Mg(2), and one V(1) atom.