data_YbPrTh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbPrTh2
_chemical_formula_sum   'Yb1 Pr1 Th2'
_cell_volume   135.87
_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  0.08  0.08  0.08  1.0
  Pr  Pr0  1  0.0  0.0  0.0  1.0
  Th  Th1  1  0.12  0.12  0.12  1.0
  Th  Th2  1  0.04  0.04  0.04  1.0

data_YbPrTh2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   14.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YbPrTh2
_chemical_formula_sum   'Yb3 Pr3 Th6'
_cell_volume   407.62
_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  0.92  1.0
  Pr  Pr1  3  0.0  0.0  0.0  1.0
  Th  Th2  3  0.0  0.0  0.88  1.0
  Th  Th3  3  0.0  0.0  0.96  1.0

Yb Pr Th Th
Th2YbPr is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Th2YbPr clusters. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a single-bond geometry to one Yb(1) atom. The Th(1)-Yb(1) bond length is 0.57 Å. In the second Th site, Th(2) is bonded in a linear geometry to one Yb(1) and one Pr(1) atom. The Th(2)-Yb(1) bond length is 0.57 Å. The Th(2)-Pr(1) bond length is 0.57 Å. Yb(1) is bonded in a linear geometry to one Th(1) and one Th(2) atom. Pr(1) is bonded in a single-bond geometry to one Th(2) atom.