data_ZnCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   5.09
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   96.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Sb
_chemical_formula_sum   'Zn1 Cd2 Sb1'
_cell_volume   93.93
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.34  0.54  0.86  1.0
  Cd  Cd1  1  0.77  0.54  0.17  1.0
  Sb  Sb2  1  0.55  0.0  0.52  1.0

data_ZnCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.06
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Sb
_chemical_formula_sum   'Zn1 Cd2 Sb1'
_cell_volume   93.93
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.23  0.83  0.46  1.0
  Cd  Cd2  1  0.66  0.14  0.46  1.0
  Sb  Sb3  1  0.45  0.48  0.0  1.0

Zn Cd Cd Sb
Cd2ZnSb crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to two equivalent Cd(2), two equivalent Zn(1), and two equivalent Sb(1) atoms. There is one shorter (2.09 Å) and one longer (2.75 Å) Cd(1)-Cd(2) bond length. There is one shorter (2.76 Å) and one longer (3.14 Å) Cd(1)-Zn(1) bond length. There is one shorter (3.06 Å) and one longer (3.41 Å) Cd(1)-Sb(1) bond length. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Zn(1), and two equivalent Sb(1) atoms. There is one shorter (2.65 Å) and one longer (3.05 Å) Cd(2)-Zn(1) bond length. There is one shorter (3.06 Å) and one longer (3.41 Å) Cd(2)-Sb(1) bond length. Zn(1) is bonded in a 7-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and four equivalent Sb(1) atoms. There are a spread of Zn(1)-Sb(1) bond distances ranging from 2.80-3.35 Å. Sb(1) is bonded in a 8-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and four equivalent Zn(1) atoms.