data_YbCdCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCdCu4
_chemical_formula_sum   'Yb1 Cd1 Cu4'
_cell_volume   90.83
_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  Yb5  1  0.78  0.78  0.78  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.67  0.46  0.67  1.0
  Cu  Cu2  1  0.67  0.67  0.46  1.0
  Cu  Cu3  1  0.46  0.67  0.67  1.0
  Cu  Cu4  1  0.46  0.46  0.46  1.0

data_YbCdCu4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YbCdCu4
_chemical_formula_sum   'Yb3 Cd3 Cu12'
_cell_volume   272.5
_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  0.22  1.0
  Cd  Cd1  3  0.0  0.0  0.0  1.0
  Cu  Cu2  9  0.14  0.07  0.4  1.0
  Cu  Cu3  3  0.0  0.0  0.54  1.0

Yb Cd Cu Cu Cu Cu
YbCdCu4 crystallizes in the trigonal R3m space group. Yb(1) is bonded in a 13-coordinate geometry to three equivalent Cu(2), six equivalent Cu(1), and four equivalent Cd(1) atoms. All Yb(1)-Cu(2) bond lengths are 2.92 Å. There are three shorter (2.32 Å) and three longer (2.97 Å) Yb(1)-Cu(1) bond lengths. There is one shorter (2.67 Å) and three longer (3.25 Å) Yb(1)-Cd(1) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Yb(1), three equivalent Cu(1), and three equivalent Cd(1) atoms. All Cu(2)-Cu(1) bond lengths are 1.82 Å. All Cu(2)-Cd(1) bond lengths are 3.33 Å. In the second Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Yb(1), one Cu(2), two equivalent Cu(1), and one Cd(1) atom. Both Cu(1)-Cu(1) bond lengths are 1.05 Å. The Cu(1)-Cd(1) bond length is 2.44 Å. Cd(1) is bonded in a 4-coordinate geometry to four equivalent Yb(1), three equivalent Cu(1), and three equivalent Cu(2) atoms.