data_YCd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Ag
_chemical_formula_sum   'Y1 Cd2 Ag1'
_cell_volume   88.74
_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  Y3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.54  0.54  0.54  1.0
  Cd  Cd2  1  0.31  0.31  0.31  1.0
  Ag  Ag0  1  0.77  0.77  0.77  1.0

data_YCd2Ag
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   12.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YCd2Ag
_chemical_formula_sum   'Y3 Cd6 Ag3'
_cell_volume   266.23
_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  0.46  1.0
  Cd  Cd2  3  0.0  0.0  0.69  1.0
  Ag  Ag3  3  0.0  0.0  0.23  1.0

Y Cd Cd Ag
Y Cd Cd Ag 0 3 - - - 0 3 - - o 0 3 o - - 0 3 - o - 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
YAgCd2 crystallizes in the trigonal R3m space group. Y(1) is bonded in a 7-coordinate geometry to four equivalent Ag(1), three equivalent Cd(1), and four equivalent Cd(2) atoms. There is one shorter (2.82 Å) and three longer (3.16 Å) Y(1)-Ag(1) bond lengths. All Y(1)-Cd(1) bond lengths are 3.28 Å. There are three shorter (2.90 Å) and one longer (3.81 Å) Y(1)-Cd(2) bond length. Ag(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), three equivalent Cd(2), and four equivalent Cd(1) atoms. All Ag(1)-Cd(2) bond lengths are 3.28 Å. There is one shorter (2.82 Å) and three longer (3.16 Å) Ag(1)-Cd(1) bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 11-coordinate geometry to three equivalent Y(1), four equivalent Ag(1), and four equivalent Cd(2) atoms. There is one shorter (2.82 Å) and three longer (3.16 Å) Cd(1)-Cd(2) bond lengths. In the second Cd site, Cd(2) is bonded in a 11-coordinate geometry to four equivalent Y(1), three equivalent Ag(1), and four equivalent Cd(1) atoms.