data_MgGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   29.52
_cell_angle_beta   29.52
_cell_angle_gamma   29.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2B
_chemical_formula_sum   'Mg1 Ga2 B1'
_cell_volume   66.03
_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  Mg3  1  0.0  0.0  0.67  1.0
  Ga  Ga1  1  0.0  0.0  0.93  1.0
  Ga  Ga2  1  0.0  0.0  0.42  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_MgGa2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGa2B
_chemical_formula_sum   'Mg2 Ga4 B2'
_cell_volume   132.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  -0.0  0.0  0.33  1.0
  Ga  Ga1  2  -0.0  0.0  0.07  1.0
  Ga  Ga2  2  -0.0  0.0  0.58  1.0
  B  B3  2  -0.0  0.0  0.0  1.0

Mg Ga Ga B
MgGa2B crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgGa2B clusters. Mg(1) is bonded in a linear geometry to one Ga(1) and one Ga(2) atom. The Mg(1)-Ga(1) bond length is 1.74 Å. The Mg(1)-Ga(2) bond length is 1.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a linear geometry to one Mg(1) and one B(1) atom. The Ga(1)-B(1) bond length is 0.46 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Mg(1) atom. B(1) is bonded in a single-bond geometry to one Ga(1) atom.