data_DyLu2Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyLu2Th
_chemical_formula_sum   'Dy1 Lu2 Th1'
_cell_volume   123.56
_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
  Dy  Dy0  1  0.0  0.0  0.0  1.0
  Lu  Lu1  1  0.98  0.98  0.98  1.0
  Lu  Lu2  1  0.93  0.93  0.93  1.0
  Th  Th3  1  0.95  0.95  0.95  1.0

data_DyLu2Th
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   13.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   DyLu2Th
_chemical_formula_sum   'Dy3 Lu6 Th3'
_cell_volume   370.68
_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
  Dy  Dy0  3  0.0  0.0  0.0  1.0
  Lu  Lu1  3  0.0  0.0  0.02  1.0
  Lu  Lu2  3  0.0  0.0  0.07  1.0
  Th  Th3  3  0.0  0.0  0.05  1.0

Dy Lu Lu Th
Dy Lu Lu Th 0 1 - - - 1 3 o o o 2 3 o o o 
ThLu2Dy is Cyanogen Chloride-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three ThLu2Dy clusters. Th(1) is bonded in a linear geometry to one Lu(1) and one Lu(2) atom. The Th(1)-Lu(1) bond length is 0.32 Å. The Th(1)-Lu(2) bond length is 0.32 Å. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a linear geometry to one Th(1) and one Dy(1) atom. The Lu(1)-Dy(1) bond length is 0.32 Å. In the second Lu site, Lu(2) is bonded in a single-bond geometry to one Th(1) atom. Dy(1) is bonded in a single-bond geometry to one Lu(1) atom.