data_NbInAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInAg3
_chemical_formula_sum   'Nb1 In1 Ag3'
_cell_volume   130.3
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  In  In4  1  0.53  0.53  0.53  1.0
  Ag  Ag1  1  0.53  0.0  0.53  1.0
  Ag  Ag2  1  0.53  0.53  0.0  1.0
  Ag  Ag3  1  0.0  0.53  0.53  1.0

data_NbInAg3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbInAg3
_chemical_formula_sum   'Nb3 In3 Ag9'
_cell_volume   390.91
_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
  Nb  Nb0  3  0.0  0.0  0.0  1.0
  In  In1  3  0.0  0.0  0.53  1.0
  Ag  Ag2  9  0.18  0.36  0.36  1.0

Nb In Ag Ag Ag
Nb In Ag Ag Ag 0 1 - - - 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 2 - o - 0 2 - o o 0 2 o o - 0 2 o o o 0 4 o - - 0 4 o - o 0 4 o o - 0 4 o o o 1 4 o o o 1 4 + o o 1 2 o o o 1 2 o + o 1 3 o o o 1 3 o o + 
NbAg3In is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Nb(1) is bonded to nine equivalent Ag(1) atoms to form distorted NbAg9 cuboctahedra that share corners with six equivalent Nb(1)Ag9 cuboctahedra, edges with six equivalent Nb(1)Ag9 cuboctahedra, edges with three equivalent In(1)Ag6 octahedra, and faces with four equivalent In(1)Ag6 octahedra. There are three shorter (3.33 Å) and six longer (3.59 Å) Nb(1)-Ag(1) bond lengths. Ag(1) is bonded in a 2-coordinate geometry to three equivalent Nb(1) and two equivalent In(1) atoms. There is one shorter (2.36 Å) and one longer (2.71 Å) Ag(1)-In(1) bond length. In(1) is bonded to six equivalent Ag(1) atoms to form InAg6 octahedra that share corners with six equivalent In(1)Ag6 octahedra, edges with three equivalent Nb(1)Ag9 cuboctahedra, and faces with four equivalent Nb(1)Ag9 cuboctahedra. The corner-sharing octahedra are not tilted.