data_UCd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCd2Ru
_chemical_formula_sum   'U1 Cd2 Ru1'
_cell_volume   77.82
_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
  U  U3  1  0.39  0.39  0.39  1.0
  Cd  Cd0  1  0.69  0.69  0.69  1.0
  Cd  Cd1  1  0.08  0.08  0.08  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_UCd2Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   11.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   UCd2Ru
_chemical_formula_sum   'U3 Cd6 Ru3'
_cell_volume   233.45
_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
  U  U0  3  0.0  0.0  0.61  1.0
  Cd  Cd1  3  0.0  0.0  0.31  1.0
  Cd  Cd2  3  0.0  0.0  0.92  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

U Cd Cd Ru
U Cd Cd Ru 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 
URuCd2 crystallizes in the trigonal R3m space group. U(1) is bonded in a 11-coordinate geometry to three equivalent Ru(1), four equivalent Cd(1), and four equivalent Cd(2) atoms. All U(1)-Ru(1) bond lengths are 2.84 Å. There are three shorter (2.79 Å) and one longer (3.59 Å) U(1)-Cd(1) bond length. There are three shorter (2.79 Å) and one longer (3.59 Å) U(1)-Cd(2) bond length. Ru(1) is bonded in a single-bond geometry to three equivalent U(1), one Cd(2), and four equivalent Cd(1) atoms. The Ru(1)-Cd(2) bond length is 0.97 Å. There are three shorter (2.79 Å) and one longer (3.59 Å) Ru(1)-Cd(1) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 11-coordinate geometry to four equivalent U(1), four equivalent Ru(1), and three equivalent Cd(2) atoms. All Cd(1)-Cd(2) bond lengths are 2.84 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to four equivalent U(1), one Ru(1), and three equivalent Cd(1) atoms.