data_SmDy2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmDy2Pd
_chemical_formula_sum   'Sm1 Dy2 Pd1'
_cell_volume   100.06
_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  0.68  0.68  0.68  1.0
  Dy  Dy0  1  0.84  0.84  0.84  1.0
  Dy  Dy1  1  0.53  0.53  0.53  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_SmDy2Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SmDy2Pd
_chemical_formula_sum   'Sm3 Dy6 Pd3'
_cell_volume   300.18
_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  0.32  1.0
  Dy  Dy1  3  0.0  0.0  0.16  1.0
  Dy  Dy2  3  0.0  0.0  0.47  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

Sm Dy Dy Pd
Sm Dy Dy Pd 0 2 o o o 0 1 o o o 1 3 + + + 
Dy2SmPd crystallizes in the trigonal R3m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a distorted linear geometry to one Sm(1) and one Pd(1) atom. The Dy(1)-Sm(1) bond length is 2.01 Å. The Dy(1)-Pd(1) bond length is 2.01 Å. In the second Dy site, Dy(2) is bonded in a single-bond geometry to one Sm(1) atom. The Dy(2)-Sm(1) bond length is 2.01 Å. Sm(1) is bonded to one Dy(1), one Dy(2), and three equivalent Pd(1) atoms to form corner-sharing SmDy2Pd3 trigonal bipyramids. All Sm(1)-Pd(1) bond lengths are 3.02 Å. Pd(1) is bonded in a distorted single-bond geometry to one Dy(1) and three equivalent Sm(1) atoms.