data_Mg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   15.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ga
_chemical_formula_sum   'Mg4 Ga2'
_cell_volume   125.75
_cell_formula_units_Z   2
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  0.55  0.9  0.35  1.0
  Mg  Mg1  1  0.55  0.9  0.2  1.0
  Mg  Mg2  1  0.0  0.79  0.9  1.0
  Mg  Mg3  1  0.0  0.79  0.75  1.0
  Ga  Ga4  1  0.0  0.79  0.77  1.0
  Ga  Ga5  1  0.55  0.9  0.32  1.0

data_Mg2Ga
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.37
_cell_length_b   3.1
_cell_length_c   15.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Mg2Ga
_chemical_formula_sum   'Mg8 Ga4'
_cell_volume   251.5
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.22  0.5  0.7  1.0
  Mg  Mg1  4  0.22  0.5  0.85  1.0
  Ga  Ga2  4  0.22  0.5  0.73  1.0

Mg Mg Mg Mg Ga Ga
Mg2Ga crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Mg2Ga clusters. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Ga(1) atom. The Mg(1)-Ga(1) bond length is 0.37 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Ga(1) atom. The Mg(2)-Ga(1) bond length is 1.83 Å. Ga(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Mg(2) atom.