data_SmAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAg2Pd
_chemical_formula_sum   'Sm1 Ag2 Pd1'
_cell_volume   77.1
_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
  Sm  Sm3  1  0.38  0.38  0.38  1.0
  Ag  Ag0  1  0.07  0.07  0.07  1.0
  Ag  Ag1  1  0.69  0.69  0.69  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_SmAg2Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SmAg2Pd
_chemical_formula_sum   'Sm3 Ag6 Pd3'
_cell_volume   231.29
_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
  Sm  Sm0  3  0.0  0.0  0.62  1.0
  Ag  Ag1  3  0.0  0.0  0.31  1.0
  Ag  Ag2  3  0.0  0.0  0.93  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

Sm Ag Ag Pd
SmPdAg2 crystallizes in the trigonal R3m space group. Sm(1) is bonded in a 11-coordinate geometry to three equivalent Pd(1), four equivalent Ag(1), and four equivalent Ag(2) atoms. All Sm(1)-Pd(1) bond lengths are 2.81 Å. There are three shorter (2.77 Å) and one longer (3.64 Å) Sm(1)-Ag(1) bond length. There are three shorter (2.77 Å) and one longer (3.64 Å) Sm(1)-Ag(2) bond length. Pd(1) is bonded in a single-bond geometry to three equivalent Sm(1), one Ag(1), and three equivalent Ag(2) atoms. The Pd(1)-Ag(1) bond length is 0.79 Å. All Pd(1)-Ag(2) bond lengths are 2.77 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to four equivalent Sm(1) and one Pd(1) atom. In the second Ag site, Ag(2) is bonded in a 7-coordinate geometry to four equivalent Sm(1) and three equivalent Pd(1) atoms.