data_GaBiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBiCl2
_chemical_formula_sum   'Ga1 Bi1 Cl2'
_cell_volume   99.43
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.68  0.68  0.68  1.0
  Cl  Cl1  1  0.84  0.84  0.84  1.0
  Cl  Cl2  1  0.52  0.52  0.52  1.0

data_GaBiCl2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaBiCl2
_chemical_formula_sum   'Ga3 Bi3 Cl6'
_cell_volume   298.28
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.32  1.0
  Cl  Cl2  3  0.0  0.0  0.16  1.0
  Cl  Cl3  3  0.0  0.0  0.48  1.0

Ga Bi Cl Cl
GaBiCl2 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three GaBiCl2 clusters. Ga(1) is bonded in a single-bond geometry to one Cl(1) atom. The Ga(1)-Cl(1) bond length is 2.06 Å. Bi(1) is bonded in a linear geometry to one Cl(1) and one Cl(2) atom. The Bi(1)-Cl(1) bond length is 2.06 Å. The Bi(1)-Cl(2) bond length is 2.06 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to one Ga(1) and one Bi(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Bi(1) atom.