data_In3GaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3GaCl
_chemical_formula_sum   'In3 Ga1 Cl1'
_cell_volume   164.14
_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
  In  In2  1  0.74  0.0  0.74  1.0
  In  In3  1  0.74  0.74  0.0  1.0
  In  In4  1  0.0  0.74  0.74  1.0
  Ga  Ga1  1  0.74  0.74  0.74  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_In3GaCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.74
_cell_length_b   7.74
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In3GaCl
_chemical_formula_sum   'In9 Ga3 Cl3'
_cell_volume   492.43
_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
  In  In0  9  0.17  0.09  0.83  1.0
  Ga  Ga1  3  0.0  0.0  0.74  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0

In In In Ga Cl
In In In Ga Cl 0 3 o - o 0 4 + o + 1 3 o o - 1 4 + + o 2 3 - o o 2 4 o + + 
In3GaCl is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three In3GaCl clusters. In(1) is bonded in an L-shaped geometry to one Ga(1) and one Cl(1) atom. The In(1)-Ga(1) bond length is 1.44 Å. The In(1)-Cl(1) bond length is 2.03 Å. Ga(1) is bonded in a distorted T-shaped geometry to three equivalent In(1) atoms. Cl(1) is bonded in a 3-coordinate geometry to three equivalent In(1) atoms.