data_In2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgSb
_chemical_formula_sum   'In2 Ag1 Sb1'
_cell_volume   101.9
_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  In1  1  0.71  0.71  0.71  1.0
  In  In2  1  0.85  0.85  0.85  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.56  0.56  0.56  1.0

data_In2AgSb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   12.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In2AgSb
_chemical_formula_sum   'In6 Ag3 Sb3'
_cell_volume   305.71
_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  0.15  1.0
  In  In1  3  0.0  0.0  0.29  1.0
  Ag  Ag2  3  0.0  0.0  0.0  1.0
  Sb  Sb3  3  0.0  0.0  0.44  1.0

In In Ag Sb
In In Ag Sb 0 3 o o o 0 1 o o o 1 2 + + + 
AgIn2Sb crystallizes in the trigonal R3m space group. Ag(1) is bonded in a distorted single-bond geometry to one In(2) and three equivalent In(1) atoms. The Ag(1)-In(2) bond length is 1.88 Å. All Ag(1)-In(1) bond lengths are 3.07 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to three equivalent Ag(1), one In(2), and one Sb(1) atom. The In(1)-In(2) bond length is 1.88 Å. The In(1)-Sb(1) bond length is 1.88 Å. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Ag(1), one In(1), and three equivalent Sb(1) atoms. All In(2)-Sb(1) bond lengths are 3.07 Å. Sb(1) is bonded in a distorted single-bond geometry to one In(1) and three equivalent In(2) atoms.