data_Li4CdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4CdRu
_chemical_formula_sum   'Li4 Cd1 Ru1'
_cell_volume   86.49
_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
  Li  Li1  1  0.62  0.62  0.4  1.0
  Li  Li2  1  0.62  0.4  0.62  1.0
  Li  Li3  1  0.4  0.62  0.62  1.0
  Li  Li4  1  0.4  0.4  0.4  1.0
  Cd  Cd0  1  0.76  0.76  0.76  1.0
  Ru  Ru5  1  0.0  0.0  0.0  1.0

data_Li4CdRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Li4CdRu
_chemical_formula_sum   'Li12 Cd3 Ru3'
_cell_volume   259.47
_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
  Li  Li0  9  0.15  0.07  0.45  1.0
  Li  Li1  3  0.0  0.0  0.6  1.0
  Cd  Cd2  3  0.0  0.0  0.24  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

Li Li Li Li Cd Ru
Li4RuCd crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one Ru(1), and two equivalent Cd(1) atoms. The Li(1)-Li(2) bond length is 1.88 Å. Both Li(1)-Li(1) bond lengths are 1.08 Å. The Li(1)-Ru(1) bond length is 2.67 Å. There is one shorter (2.61 Å) and one longer (2.71 Å) Li(1)-Cd(1) bond length. In the second Li site, Li(2) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Ru(1), and three equivalent Cd(1) atoms. All Li(2)-Ru(1) bond lengths are 2.98 Å. All Li(2)-Cd(1) bond lengths are 2.88 Å. Ru(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and four equivalent Cd(1) atoms. There is one shorter (2.98 Å) and three longer (3.06 Å) Ru(1)-Cd(1) bond lengths. Cd(1) is bonded in a 13-coordinate geometry to three equivalent Li(2), six equivalent Li(1), and four equivalent Ru(1) atoms.