data_ScCdBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   5.13
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdBi2
_chemical_formula_sum   'Sc1 Cd1 Bi2'
_cell_volume   107.74
_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  Sc3  1  0.3  0.0  0.64  1.0
  Cd  Cd2  1  0.24  0.57  0.65  1.0
  Bi  Bi0  1  0.52  0.57  0.41  1.0
  Bi  Bi1  1  0.04  0.0  0.02  1.0

data_ScCdBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.13
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdBi2
_chemical_formula_sum   'Sc1 Cd1 Bi2'
_cell_volume   107.74
_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  0.3  0.0  0.64  1.0
  Cd  Cd1  1  0.24  0.57  0.65  1.0
  Bi  Bi2  1  0.04  0.0  0.02  1.0
  Bi  Bi3  1  0.52  0.57  0.41  1.0

Sc Cd Bi Bi
Sc Cd Bi Bi 0 1 o - o 0 3 o o + 0 3 + o + 0 2 o - o 1 2 o o o 1 3 o + + 2 3 o + o 3 3 + o o 
ScCdBi2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 7-coordinate geometry to two equivalent Cd(1), two equivalent Bi(1), and three equivalent Bi(2) atoms. There is one shorter (2.24 Å) and one longer (2.92 Å) Sc(1)-Cd(1) bond length. There is one shorter (2.86 Å) and one longer (3.41 Å) Sc(1)-Bi(1) bond length. There are a spread of Sc(1)-Bi(2) bond distances ranging from 2.72-3.67 Å. Cd(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1) and two equivalent Bi(1) atoms. There is one shorter (1.97 Å) and one longer (2.58 Å) Cd(1)-Bi(1) bond length. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to two equivalent Sc(1) and two equivalent Cd(1) atoms. In the second Bi site, Bi(2) is bonded in a 2-coordinate geometry to three equivalent Sc(1) atoms.