data_GaB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaB3
_chemical_formula_sum   'Ga1 B3'
_cell_volume   35.48
_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
  Ga  Ga3  1  0.67  0.67  0.0  1.0
  B  B0  1  0.67  0.0  0.6  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.0  0.67  0.6  1.0

data_GaB3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaB3
_chemical_formula_sum   'Ga2 B6'
_cell_volume   70.96
_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
  Ga  Ga0  2  0.17  0.5  0.0  1.0
  B  B1  4  0.33  0.33  0.6  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Ga B B B
GaB3 is Uranium Silicide structured and crystallizes in the monoclinic Cm space group. Ga(1) is bonded in a 3-coordinate geometry to one B(2) and six equivalent B(1) atoms. The Ga(1)-B(2) bond length is 1.58 Å. There are a spread of Ga(1)-B(1) bond distances ranging from 1.70-2.56 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Ga(1), one B(1), and two equivalent B(2) atoms. The B(1)-B(1) bond length is 1.58 Å. There is one shorter (1.70 Å) and one longer (2.21 Å) B(1)-B(2) bond length. In the second B site, B(2) is bonded in a distorted single-bond geometry to one Ga(1) and four equivalent B(1) atoms.