data_MgV2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   137.55
_cell_angle_beta   134.5
_cell_angle_gamma   63.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Ga
_chemical_formula_sum   'Mg1 V2 Ga1'
_cell_volume   60.09
_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
  V  V2  1  0.0  0.94  0.11  1.0
  V  V3  1  0.82  0.0  0.15  1.0
  Ga  Ga0  1  0.0  0.0  0.26  1.0

data_MgV2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.88
_cell_length_c   5.02
_cell_angle_alpha   112.75
_cell_angle_beta   111.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Ga
_chemical_formula_sum   'Mg1 V2 Ga1'
_cell_volume   60.09
_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  V1  1  0.67  0.85  0.67  1.0
  V  V2  1  0.89  0.83  0.83  1.0
  Ga  Ga3  1  0.74  0.74  0.74  1.0

Mg V V Ga
MgV2Ga crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgV2Ga cluster. Mg(1) is bonded in a single-bond geometry to one V(1) atom. The Mg(1)-V(1) bond length is 0.80 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Ga(1) atom. The V(1)-Ga(1) bond length is 0.56 Å. In the second V site, V(2) is bonded in a single-bond geometry to one Ga(1) atom. The V(2)-Ga(1) bond length is 0.66 Å. Ga(1) is bonded in a water-like geometry to one V(1) and one V(2) atom.