data_Mg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ga
_chemical_formula_sum   'Mg4 Ga2'
_cell_volume   122.34
_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  0.54  0.89  0.24  1.0
  Mg  Mg1  1  0.54  0.58  0.24  1.0
  Mg  Mg2  1  0.54  0.42  0.73  1.0
  Mg  Mg3  1  0.54  0.11  0.73  1.0
  Ga  Ga4  1  0.54  0.2  0.24  1.0
  Ga  Ga5  1  0.54  0.8  0.73  1.0

data_Mg2Ga
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.08
_cell_length_b   4.98
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg2Ga
_chemical_formula_sum   'Mg4 Ga2'
_cell_volume   122.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.11  0.26  0.11  1.0
  Mg  Mg1  2  0.42  0.26  0.42  1.0
  Ga  Ga2  2  0.2  0.74  0.2  1.0

Mg Mg Mg Mg Ga Ga
Mg2Ga crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one Mg(2) and three equivalent Ga(1) atoms. The Mg(1)-Mg(2) bond length is 2.49 Å. There are a spread of Mg(1)-Ga(1) bond distances ranging from 2.53-2.65 Å. In the second Mg site, Mg(2) is bonded to one Mg(1), four equivalent Mg(2), and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing MgMg5Ga3 hexagonal bipyramids. There are a spread of Mg(2)-Mg(2) bond distances ranging from 2.76-3.08 Å. There are a spread of Mg(2)-Ga(1) bond distances ranging from 3.00-3.10 Å. Ga(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Mg(2) atoms.