data_GaCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCl5
_chemical_formula_sum   'Ga1 Cl5'
_cell_volume   140.47
_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  Ga5  1  0.19  0.19  0.19  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.09  0.09  0.09  1.0
  Cl  Cl2  1  0.16  0.09  0.16  1.0
  Cl  Cl3  1  0.16  0.16  0.09  1.0
  Cl  Cl4  1  0.09  0.16  0.16  1.0

data_GaCl5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   14.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaCl5
_chemical_formula_sum   'Ga3 Cl15'
_cell_volume   421.42
_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  0.81  1.0
  Cl  Cl1  9  0.05  0.02  0.86  1.0
  Cl  Cl2  3  0.0  0.0  -0.0  1.0
  Cl  Cl3  3  0.0  0.0  0.91  1.0

Ga Cl Cl Cl Cl Cl
GaCl5 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three GaCl5 clusters. Ga(1) is bonded in a 3-coordinate geometry to three equivalent Cl(3) atoms. All Ga(1)-Cl(3) bond lengths are 0.77 Å. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cl(2) atom. The Cl(1)-Cl(2) bond length is 1.30 Å. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Cl(1) and three equivalent Cl(3) atoms. All Cl(2)-Cl(3) bond lengths are 0.70 Å. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Ga(1), one Cl(2), and two equivalent Cl(3) atoms. Both Cl(3)-Cl(3) bond lengths are 0.41 Å.