data_YSc2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cd
_chemical_formula_sum   'Y1 Sc2 Cd1'
_cell_volume   99.73
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.84  0.84  0.84  1.0
  Sc  Sc2  1  0.52  0.52  0.52  1.0
  Cd  Cd0  1  0.68  0.68  0.68  1.0

data_YSc2Cd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YSc2Cd
_chemical_formula_sum   'Y3 Sc6 Cd3'
_cell_volume   299.19
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Sc  Sc1  3  0.0  0.0  0.16  1.0
  Sc  Sc2  3  0.0  0.0  0.48  1.0
  Cd  Cd3  3  0.0  0.0  0.32  1.0

Y Sc Sc Cd
YSc2Cd crystallizes in the trigonal R3m space group. Y(1) is bonded to one Sc(1) and three equivalent Cd(1) atoms to form distorted YScCd3 trigonal pyramids that share  a cornercorner with one Cd(1)Y3Sc2 trigonal bipyramid and corners with six equivalent Y(1)ScCd3 trigonal pyramids. The Y(1)-Sc(1) bond length is 2.04 Å. All Y(1)-Cd(1) bond lengths are 3.01 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted linear geometry to one Y(1) and one Cd(1) atom. The Sc(1)-Cd(1) bond length is 2.04 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Cd(1) atom. The Sc(2)-Cd(1) bond length is 2.04 Å. Cd(1) is bonded to three equivalent Y(1), one Sc(1), and one Sc(2) atom to form distorted CdY3Sc2 trigonal bipyramids that share corners with six equivalent Cd(1)Y3Sc2 trigonal bipyramids and  a cornercorner with one Y(1)ScCd3 trigonal pyramid.