data_Zr2ZnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   5.04
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnCd
_chemical_formula_sum   'Zr2 Zn1 Cd1'
_cell_volume   81.19
_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
  Zr  Zr2  1  0.55  0.52  0.36  1.0
  Zr  Zr3  1  0.55  0.0  0.59  1.0
  Zn  Zn1  1  0.0  0.0  0.98  1.0
  Cd  Cd0  1  0.0  0.52  0.89  1.0

data_Zr2ZnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.04
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnCd
_chemical_formula_sum   'Zr2 Zn1 Cd1'
_cell_volume   81.19
_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
  Zr  Zr0  1  0.55  0.0  0.59  1.0
  Zr  Zr1  1  0.55  0.52  0.36  1.0
  Zn  Zn2  1  0.0  0.0  0.98  1.0
  Cd  Cd3  1  0.0  0.52  0.89  1.0

Zr Zr Zn Cd
Zr2CdZn crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Cd(1) atoms. There is one shorter (2.70 Å) and one longer (2.89 Å) Zr(1)-Zr(2) bond length. There are a spread of Zr(1)-Cd(1) bond distances ranging from 2.80-3.26 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Zr(1), four equivalent Cd(1), and two equivalent Zn(1) atoms. There are a spread of Zr(2)-Cd(1) bond distances ranging from 3.21-3.50 Å. There is one shorter (2.47 Å) and one longer (2.65 Å) Zr(2)-Zn(1) bond length. Cd(1) is bonded in a 12-coordinate geometry to four equivalent Zr(1), four equivalent Zr(2), two equivalent Cd(1), and two equivalent Zn(1) atoms. Both Cd(1)-Cd(1) bond lengths are 3.09 Å. There is one shorter (2.46 Å) and one longer (2.66 Å) Cd(1)-Zn(1) bond length. Zn(1) is bonded in a 4-coordinate geometry to two equivalent Zr(2) and two equivalent Cd(1) atoms.