data_ScTa2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36
_cell_length_b   10.36
_cell_length_c   10.36
_cell_angle_alpha   16.72
_cell_angle_beta   16.72
_cell_angle_gamma   16.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Cd
_chemical_formula_sum   'Sc1 Ta2 Cd1'
_cell_volume   80.29
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.66  1.0
  Ta  Ta3  1  0.0  0.0  0.98  1.0
  Cd  Cd0  1  0.0  0.0  0.32  1.0

data_ScTa2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   3.01
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTa2Cd
_chemical_formula_sum   'Sc2 Ta4 Cd2'
_cell_volume   160.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.02  1.0
  Ta  Ta2  2  0.0  0.0  0.34  1.0
  Cd  Cd3  2  0.0  0.0  0.68  1.0

Sc Ta Ta Cd
Sc Ta Ta Cd 0 2 o o - 0 1 o o - 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 1 2 o o o 2 3 o o + 3 3 o + - 3 3 + - o 3 3 + o - 
ScTa2Cd crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a single-bond geometry to one Ta(2) and one Cd(1) atom. The Sc(1)-Ta(2) bond length is 0.22 Å. The Sc(1)-Cd(1) bond length is 3.31 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one Ta(2), six equivalent Ta(1), and one Cd(1) atom to form TaTa7Cd hexagonal bipyramids that share corners with six equivalent Ta(1)Ta7Cd hexagonal bipyramids, edges with six equivalent Cd(1)ScTaCd6 hexagonal bipyramids, and edges with twelve equivalent Ta(1)Ta7Cd hexagonal bipyramids. The Ta(1)-Ta(2) bond length is 3.30 Å. All Ta(1)-Ta(1) bond lengths are 3.01 Å. The Ta(1)-Cd(1) bond length is 3.53 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Sc(1) and one Ta(1) atom. Cd(1) is bonded to one Sc(1), one Ta(1), and six equivalent Cd(1) atoms to form CdScTaCd6 hexagonal bipyramids that share corners with six equivalent Cd(1)ScTaCd6 hexagonal bipyramids, edges with six equivalent Ta(1)Ta7Cd hexagonal bipyramids, and edges with twelve equivalent Cd(1)ScTaCd6 hexagonal bipyramids. All Cd(1)-Cd(1) bond lengths are 3.01 Å.