data_DyU2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyU2B
_chemical_formula_sum   'Dy1 U2 B1'
_cell_volume   78.37
_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
  Dy  Dy1  1  0.4  0.4  0.4  1.0
  U  U2  1  0.7  0.7  0.7  1.0
  U  U3  1  0.09  0.09  0.09  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_DyU2B
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   DyU2B
_chemical_formula_sum   'Dy3 U6 B3'
_cell_volume   235.11
_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
  Dy  Dy0  3  0.0  0.0  0.6  1.0
  U  U1  3  0.0  0.0  0.3  1.0
  U  U2  3  0.0  0.0  0.91  1.0
  B  B3  3  0.0  0.0  0.0  1.0

Dy U U B
Dy U U B 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 3 o + + 1 3 + o + 1 3 + + o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 o o o 
U2DyB crystallizes in the trigonal R3m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 11-coordinate geometry to three equivalent U(2), four equivalent Dy(1), and four equivalent B(1) atoms. All U(1)-U(2) bond lengths are 2.87 Å. There are three shorter (2.80 Å) and one longer (3.55 Å) U(1)-Dy(1) bond length. There are three shorter (2.80 Å) and one longer (3.55 Å) U(1)-B(1) bond length. In the second U site, U(2) is bonded in a single-bond geometry to three equivalent U(1), four equivalent Dy(1), and one B(1) atom. There are three shorter (2.80 Å) and one longer (3.55 Å) U(2)-Dy(1) bond length. The U(2)-B(1) bond length is 1.12 Å. Dy(1) is bonded in a 11-coordinate geometry to four equivalent U(1), four equivalent U(2), and three equivalent B(1) atoms. All Dy(1)-B(1) bond lengths are 2.87 Å. B(1) is bonded in a single-bond geometry to one U(2), four equivalent U(1), and three equivalent Dy(1) atoms.