data_ZrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd
_chemical_formula_sum   'Zr2 Cd2'
_cell_volume   99.7
_cell_formula_units_Z   2
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  0.18  0.26  0.55  1.0
  Zr  Zr3  1  0.0  0.52  0.52  1.0
  Cd  Cd0  1  0.0  0.0  0.03  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0

data_ZrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd
_chemical_formula_sum   'Zr2 Cd2'
_cell_volume   99.7
_cell_formula_units_Z   2
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  -0.0  0.52  0.52  1.0
  Zr  Zr1  1  0.18  0.26  0.55  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.0  0.03  1.0

Zr Zr Cd Cd
ZrCd crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to three equivalent Zr(2), one Cd(1), and one Cd(2) atom. There are a spread of Zr(1)-Zr(2) bond distances ranging from 1.67-3.18 Å. The Zr(1)-Cd(1) bond length is 3.29 Å. The Zr(1)-Cd(2) bond length is 2.91 Å. In the second Zr site, Zr(2) is bonded in a distorted single-bond geometry to three equivalent Zr(1) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Zr(1) and one Cd(2) atom. The Cd(1)-Cd(2) bond length is 0.20 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Zr(1) and one Cd(1) atom.