data_ScCd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd2Te
_chemical_formula_sum   'Sc1 Cd2 Te1'
_cell_volume   99.94
_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  Sc2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.93  0.0  0.6  1.0
  Cd  Cd1  1  0.93  0.0  0.29  1.0
  Te  Te3  1  0.0  0.0  0.95  1.0

data_ScCd2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd2Te
_chemical_formula_sum   'Sc1 Cd2 Te1'
_cell_volume   99.94
_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  Sc0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.93  0.0  0.29  1.0
  Cd  Cd2  1  0.93  0.0  0.6  1.0
  Te  Te3  1  0.0  0.0  0.95  1.0

Sc Cd Cd Te
ScCd2Te crystallizes in the triclinic P1 space group. Sc(1) is bonded in a single-bond geometry to one Cd(2) and one Te(1) atom. The Sc(1)-Cd(2) bond length is 2.84 Å. The Sc(1)-Te(1) bond length is 0.54 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Cd(2), four equivalent Cd(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing CdCd5Te octahedra. The corner-sharing octahedra are not tilted. The Cd(1)-Cd(2) bond length is 3.16 Å. All Cd(1)-Cd(1) bond lengths are 3.25 Å. The Cd(1)-Te(1) bond length is 3.38 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Sc(1) and one Cd(1) atom. Te(1) is bonded in a single-bond geometry to one Sc(1) and one Cd(1) atom.