data_YbEr2Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbEr2Th
_chemical_formula_sum   'Yb1 Er2 Th1'
_cell_volume   130.26
_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  0.0  0.0  0.0  1.0
  Er  Er0  1  0.01  0.01  0.01  1.0
  Er  Er1  1  0.04  0.04  0.04  1.0
  Th  Th2  1  0.02  0.02  0.02  1.0

data_YbEr2Th
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   13.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YbEr2Th
_chemical_formula_sum   'Yb3 Er6 Th3'
_cell_volume   390.79
_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  0.0  1.0
  Er  Er1  3  0.0  0.0  0.96  1.0
  Er  Er2  3  0.0  0.0  0.99  1.0
  Th  Th3  3  0.0  0.0  0.98  1.0

Yb Er Er Th
Yb Er Er Th 0 1 o o o 1 3 o o o 2 3 o o o 
ThYbEr2 is Cyanogen Chloride-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three ThYbEr2 clusters. Th(1) is bonded in a linear geometry to one Er(1) and one Er(2) atom. The Th(1)-Er(1) bond length is 0.16 Å. The Th(1)-Er(2) bond length is 0.16 Å. Yb(1) is bonded in a single-bond geometry to one Er(1) atom. The Yb(1)-Er(1) bond length is 0.16 Å. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a linear geometry to one Th(1) and one Yb(1) atom. In the second Er site, Er(2) is bonded in a single-bond geometry to one Th(1) atom.