data_InGa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Sb
_chemical_formula_sum   'In1 Ga2 Sb1'
_cell_volume   94.79
_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  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.43  0.43  0.43  1.0
  Ga  Ga1  1  0.81  0.81  0.81  1.0
  Sb  Sb3  1  0.62  0.62  0.62  1.0

data_InGa2Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InGa2Sb
_chemical_formula_sum   'In3 Ga6 Sb3'
_cell_volume   284.36
_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  3  0.0  0.0  0.0  1.0
  Ga  Ga1  3  0.0  0.0  0.19  1.0
  Ga  Ga2  3  0.0  0.0  0.57  1.0
  Sb  Sb3  3  0.0  0.0  0.38  1.0

In Ga Ga Sb
In Ga Ga Sb 0 2 - - - 0 3 - - o 0 3 - o - 0 3 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 - o o 1 2 o - o 1 2 o o - 1 3 o o o 2 3 o o o 
InGa2Sb crystallizes in the trigonal R3m space group. In(1) is bonded in a 7-coordinate geometry to one Ga(2), three equivalent Ga(1), and three equivalent Sb(1) atoms. The In(1)-Ga(2) bond length is 2.39 Å. All In(1)-Ga(1) bond lengths are 3.19 Å. All In(1)-Sb(1) bond lengths are 3.01 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to three equivalent In(1) and one Sb(1) atom. The Ga(1)-Sb(1) bond length is 2.39 Å. In the second Ga site, Ga(2) is bonded in a distorted linear geometry to one In(1) and one Sb(1) atom. The Ga(2)-Sb(1) bond length is 2.39 Å. Sb(1) is bonded in a 5-coordinate geometry to three equivalent In(1), one Ga(1), and one Ga(2) atom.