data_YCdAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdAg3
_chemical_formula_sum   'Y1 Cd1 Ag3'
_cell_volume   131.56
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Cd  Cd4  1  0.54  0.54  0.54  1.0
  Ag  Ag1  1  0.54  0.0  0.54  1.0
  Ag  Ag2  1  0.54  0.54  0.0  1.0
  Ag  Ag3  1  0.0  0.54  0.54  1.0

data_YCdAg3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YCdAg3
_chemical_formula_sum   'Y3 Cd3 Ag9'
_cell_volume   394.67
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Cd  Cd1  3  0.0  0.0  0.54  1.0
  Ag  Ag2  9  0.18  0.36  0.36  1.0

Y Cd Ag Ag Ag
Y Cd 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 + 
YAg3Cd is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Y(1) is bonded to twelve equivalent Ag(1) atoms to form YAg12 cuboctahedra that share corners with twelve equivalent Y(1)Ag12 cuboctahedra, faces with six equivalent Y(1)Ag12 cuboctahedra, and faces with eight equivalent Cd(1)Ag6 octahedra. There are a spread of Y(1)-Ag(1) bond distances ranging from 3.29-3.91 Å. Ag(1) is bonded in a 6-coordinate geometry to four equivalent Y(1) and two equivalent Cd(1) atoms. There is one shorter (2.32 Å) and one longer (2.76 Å) Ag(1)-Cd(1) bond length. Cd(1) is bonded to six equivalent Ag(1) atoms to form CdAg6 octahedra that share corners with six equivalent Cd(1)Ag6 octahedra and faces with eight equivalent Y(1)Ag12 cuboctahedra. The corner-sharing octahedra are not tilted.