data_YbDyAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbDyAg2
_chemical_formula_sum   'Yb1 Dy1 Ag2'
_cell_volume   91.37
_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
  Yb  Yb3  1  0.57  0.57  0.57  1.0
  Dy  Dy2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.79  0.79  0.79  1.0
  Ag  Ag1  1  0.36  0.36  0.36  1.0

data_YbDyAg2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YbDyAg2
_chemical_formula_sum   'Yb3 Dy3 Ag6'
_cell_volume   274.11
_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
  Yb  Yb0  3  0.0  0.0  0.43  1.0
  Dy  Dy1  3  0.0  0.0  0.0  1.0
  Ag  Ag2  3  0.0  0.0  0.21  1.0
  Ag  Ag3  3  0.0  0.0  0.64  1.0

Yb Dy Ag Ag
YbDyAg2 is Heusler structured and crystallizes in the trigonal R3m space group. Yb(1) is bonded in a distorted linear geometry to three equivalent Dy(1), one Ag(1), and one Ag(2) atom. All Yb(1)-Dy(1) bond lengths are 3.13 Å. The Yb(1)-Ag(1) bond length is 2.63 Å. The Yb(1)-Ag(2) bond length is 2.63 Å. Dy(1) is bonded in a 10-coordinate geometry to three equivalent Yb(1), three equivalent Ag(2), and four equivalent Ag(1) atoms. All Dy(1)-Ag(2) bond lengths are 2.94 Å. There is one shorter (2.63 Å) and three longer (3.28 Å) Dy(1)-Ag(1) bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear geometry to one Yb(1) and four equivalent Dy(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one Yb(1) and three equivalent Dy(1) atoms.