data_GaSiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.3
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   95.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiB2
_chemical_formula_sum   'Ga1 Si1 B2'
_cell_volume   46.37
_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  Ga2  1  0.15  0.0  0.51  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.6  0.65  0.88  1.0
  B  B1  1  0.7  0.65  0.14  1.0

data_GaSiB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.3
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   95.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiB2
_chemical_formula_sum   'Ga1 Si1 B2'
_cell_volume   46.37
_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  Ga0  1  0.15  0.0  0.51  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.6  0.65  0.88  1.0
  B  B3  1  0.7  0.65  0.14  1.0

Ga Si B B
GaB2Si crystallizes in the triclinic P1 space group. Ga(1) is bonded in a 8-coordinate geometry to two equivalent Ga(1), two equivalent B(1), two equivalent B(2), and two equivalent Si(1) atoms. Both Ga(1)-Ga(1) bond lengths are 2.80 Å. There is one shorter (2.43 Å) and one longer (2.79 Å) Ga(1)-B(1) bond length. There is one shorter (2.43 Å) and one longer (2.79 Å) Ga(1)-B(2) bond length. There is one shorter (2.55 Å) and one longer (2.56 Å) Ga(1)-Si(1) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to two equivalent Ga(1), one B(2), and three equivalent Si(1) atoms. The B(1)-B(2) bond length is 1.32 Å. There are a spread of B(1)-Si(1) bond distances ranging from 1.69-2.47 Å. In the second B site, B(2) is bonded in a 2-coordinate geometry to two equivalent Ga(1), one B(1), and three equivalent Si(1) atoms. There are a spread of B(2)-Si(1) bond distances ranging from 1.62-2.43 Å. Si(1) is bonded in a 8-coordinate geometry to two equivalent Ga(1), three equivalent B(1), and three equivalent B(2) atoms.