data_In2AgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgBi
_chemical_formula_sum   'In2 Ag1 Bi1'
_cell_volume   98.62
_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  0.5  0.5  0.5  1.0
  In  In3  1  0.83  0.83  0.83  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.67  0.67  0.67  1.0

data_In2AgBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In2AgBi
_chemical_formula_sum   'In6 Ag3 Bi3'
_cell_volume   295.87
_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  0.17  1.0
  In  In1  3  0.0  0.0  0.5  1.0
  Ag  Ag2  3  0.0  0.0  0.0  1.0
  Bi  Bi3  3  0.0  0.0  0.33  1.0

In In Ag Bi
In In Ag Bi 0 3 o o o 1 3 o o o 1 2 + + + 
AgIn2Bi crystallizes in the trigonal R3m space group. Ag(1) is bonded to one In(2) and three equivalent Bi(1) atoms to form distorted corner-sharing AgInBi3 trigonal pyramids. The Ag(1)-In(2) bond length is 2.11 Å. All Ag(1)-Bi(1) bond lengths are 2.99 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Bi(1) atom. The In(1)-Bi(1) bond length is 2.11 Å. In the second In site, In(2) is bonded in a distorted linear geometry to one Ag(1) and one Bi(1) atom. The In(2)-Bi(1) bond length is 2.11 Å. Bi(1) is bonded in a distorted linear geometry to three equivalent Ag(1), one In(1), and one In(2) atom.