data_Ga2SiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.96
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   105.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SiBr
_chemical_formula_sum   'Ga2 Si1 Br1'
_cell_volume   86.0
_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  Ga1  1  0.97  0.48  0.99  1.0
  Ga  Ga2  1  0.92  0.48  0.16  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.26  0.0  0.58  1.0

data_Ga2SiBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.96
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   105.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SiBr
_chemical_formula_sum   'Ga2 Si1 Br1'
_cell_volume   86.0
_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  0.92  0.48  0.16  1.0
  Ga  Ga1  1  0.97  0.48  0.99  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.26  0.0  0.58  1.0

Ga Ga Si Br
Ga2SiBr crystallizes in the triclinic P1 space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to one Ga(2) and two equivalent Si(1) atoms. The Ga(1)-Ga(2) bond length is 0.99 Å. There is one shorter (2.38 Å) and one longer (2.58 Å) Ga(1)-Si(1) bond length. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Ga(1) and two equivalent Si(1) atoms. There is one shorter (2.58 Å) and one longer (2.76 Å) Ga(2)-Si(1) bond length. Si(1) is bonded in a 7-coordinate geometry to two equivalent Ga(1), two equivalent Ga(2), and three equivalent Br(1) atoms. There are a spread of Si(1)-Br(1) bond distances ranging from 2.65-2.98 Å. Br(1) is bonded in a 3-coordinate geometry to three equivalent Si(1) atoms.