data_ZnCd2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Mo
_chemical_formula_sum   'Zn1 Cd2 Mo1'
_cell_volume   72.53
_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  0.49  1.0
  Cd  Cd0  1  0.76  0.0  0.15  1.0
  Cd  Cd1  1  0.0  0.0  0.81  1.0
  Mo  Mo2  1  0.76  0.0  0.49  1.0

data_ZnCd2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Mo
_chemical_formula_sum   'Zn1 Cd2 Mo1'
_cell_volume   72.53
_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  0.49  1.0
  Cd  Cd1  1  0.0  0.0  0.81  1.0
  Cd  Cd2  1  0.76  0.0  0.15  1.0
  Mo  Mo3  1  0.76  0.0  0.49  1.0

Zn Cd Cd Mo
MoCd2Zn crystallizes in the triclinic P1 space group. Mo(1) is bonded in a single-bond geometry to one Cd(1), one Cd(2), and one Zn(1) atom. The Mo(1)-Cd(1) bond length is 3.11 Å. The Mo(1)-Cd(2) bond length is 3.03 Å. The Mo(1)-Zn(1) bond length is 0.68 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to one Mo(1), one Cd(2), and four equivalent Cd(1) atoms. The Cd(1)-Cd(2) bond length is 3.30 Å. All Cd(1)-Cd(1) bond lengths are 2.83 Å. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to one Mo(1), one Cd(1), four equivalent Cd(2), and one Zn(1) atom. All Cd(2)-Cd(2) bond lengths are 2.83 Å. The Cd(2)-Zn(1) bond length is 2.94 Å. Zn(1) is bonded in a single-bond geometry to one Mo(1) and one Cd(2) atom.