data_Mg2VIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.34
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VIn
_chemical_formula_sum   'Mg2 V1 In1'
_cell_volume   78.16
_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  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.02  0.17  0.0  1.0
  V  V3  1  0.02  0.0  0.23  1.0
  In  In0  1  0.0  0.17  0.23  1.0

data_Mg2VIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.34
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VIn
_chemical_formula_sum   'Mg2 V1 In1'
_cell_volume   78.16
_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  0.02  0.17  -0.0  1.0
  V  V2  1  0.02  0.0  0.23  1.0
  In  In3  1  0.0  0.17  0.23  1.0

Mg Mg V In
Mg2VIn is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2VIn cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an L-shaped geometry to one Mg(2) and one V(1) atom. The Mg(1)-Mg(2) bond length is 0.74 Å. The Mg(1)-V(1) bond length is 1.04 Å. In the second Mg site, Mg(2) is bonded in an L-shaped geometry to one Mg(1) and one In(1) atom. The Mg(2)-In(1) bond length is 1.04 Å. V(1) is bonded in an L-shaped geometry to one Mg(1) and one In(1) atom. The V(1)-In(1) bond length is 0.74 Å. In(1) is bonded in an L-shaped geometry to one Mg(2) and one V(1) atom.