data_ZrZn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   146.81
_cell_angle_beta   131.68
_cell_angle_gamma   59.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Cd
_chemical_formula_sum   'Zr1 Zn2 Cd1'
_cell_volume   74.93
_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
  Zr  Zr3  1  0.0  0.0  0.81  1.0
  Zn  Zn1  1  0.0  0.0  0.18  1.0
  Zn  Zn2  1  0.63  0.0  0.26  1.0
  Cd  Cd0  1  0.0  0.33  0.62  1.0

data_ZrZn2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.66
_cell_length_c   5.7
_cell_angle_alpha   114.16
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Cd
_chemical_formula_sum   'Zr1 Zn2 Cd1'
_cell_volume   74.93
_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
  Zr  Zr0  1  0.19  0.19  0.19  1.0
  Zn  Zn1  1  0.37  0.74  0.37  1.0
  Zn  Zn2  1  0.82  0.82  0.82  1.0
  Cd  Cd3  1  0.38  0.71  0.71  1.0

Zr Zn Zn Cd
ZrCdZn2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 3-coordinate geometry to one Zn(1) and two equivalent Zn(2) atoms. The Zr(1)-Zn(1) bond length is 2.09 Å. There is one shorter (2.35 Å) and one longer (2.67 Å) Zr(1)-Zn(2) bond length. Cd(1) is bonded in a 3-coordinate geometry to one Zn(2) and two equivalent Zn(1) atoms. The Cd(1)-Zn(2) bond length is 2.02 Å. There is one shorter (1.38 Å) and one longer (2.08 Å) Cd(1)-Zn(1) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Cd(1) atoms. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Cd(1) atom.