data_Rb3TaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3TaAg
_chemical_formula_sum   'Rb3 Ta1 Ag1'
_cell_volume   328.51
_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
  Rb  Rb0  1  0.45  0.0  0.45  1.0
  Rb  Rb1  1  0.45  0.45  0.0  1.0
  Rb  Rb2  1  0.0  0.45  0.45  1.0
  Ta  Ta4  1  0.45  0.45  0.45  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

data_Rb3TaAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.76
_cell_length_b   9.76
_cell_length_c   11.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb3TaAg
_chemical_formula_sum   'Rb9 Ta3 Ag3'
_cell_volume   985.52
_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
  Rb  Rb0  9  0.03  0.52  0.97  1.0
  Ta  Ta1  3  0.0  0.0  0.45  1.0
  Ag  Ag2  3  0.0  0.0  0.0  1.0

Rb Rb Rb Ta Ag
Rb3TaAg is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Rb(1) is bonded in a distorted linear geometry to two equivalent Ta(1) and one Ag(1) atom. There is one shorter (3.10 Å) and one longer (3.80 Å) Rb(1)-Ta(1) bond length. The Rb(1)-Ag(1) bond length is 4.39 Å. Ta(1) is bonded to six equivalent Rb(1) atoms to form corner-sharing TaRb6 octahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded in a 3-coordinate geometry to three equivalent Rb(1) atoms.