data_Ag3RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3RhBr
_chemical_formula_sum   'Ag3 Rh1 Br1'
_cell_volume   126.69
_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
  Ag  Ag2  1  0.0  0.51  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.51  1.0
  Ag  Ag4  1  0.51  0.0  0.0  1.0
  Rh  Rh0  1  0.51  0.51  0.51  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_Ag3RhBr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ag3RhBr
_chemical_formula_sum   'Ag9 Rh3 Br3'
_cell_volume   380.08
_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
  Ag  Ag0  9  0.01  0.5  0.5  1.0
  Rh  Rh1  3  0.0  0.0  0.51  1.0
  Br  Br2  3  0.0  0.0  0.0  1.0

Ag Ag Ag Rh Br
Ag Ag Ag Rh Br 0 4 o o o 0 4 o + o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 - o - 1 4 o o o 1 4 o o + 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 4 o o o 2 4 + o o 2 3 o o o 2 3 o o - 2 3 o - o 2 3 o - - 
RhAg3Br is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Rh(1) is bonded to twelve equivalent Ag(1) atoms to form distorted RhAg12 cuboctahedra that share corners with twelve equivalent Rh(1)Ag12 cuboctahedra, faces with six equivalent Rh(1)Ag12 cuboctahedra, and faces with eight equivalent Br(1)Ag6 octahedra. There are a spread of Rh(1)-Ag(1) bond distances ranging from 3.47-3.63 Å. Ag(1) is bonded in a linear geometry to four equivalent Rh(1) and two equivalent Br(1) atoms. There is one shorter (2.45 Å) and one longer (2.57 Å) Ag(1)-Br(1) bond length. Br(1) is bonded to six equivalent Ag(1) atoms to form BrAg6 octahedra that share corners with six equivalent Br(1)Ag6 octahedra and faces with eight equivalent Rh(1)Ag12 cuboctahedra. The corner-sharing octahedra are not tilted.