data_Zr2CdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   122.48
_cell_angle_beta   119.98
_cell_angle_gamma   87.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdW
_chemical_formula_sum   'Zr2 Cd1 W1'
_cell_volume   80.56
_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  0.35  0.0  0.79  1.0
  Zr  Zr3  1  0.0  0.44  0.73  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.51  1.0

data_Zr2CdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   60.02
_cell_angle_beta   61.24
_cell_angle_gamma   61.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdW
_chemical_formula_sum   'Zr2 Cd1 W1'
_cell_volume   80.56
_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  0.0  0.65  0.79  1.0
  Zr  Zr1  1  0.44  0.0  0.29  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.51  1.0

Zr Zr Cd W
Zr2WCd crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to one W(1) and two equivalent Cd(1) atoms. The Zr(1)-W(1) bond length is 1.55 Å. There is one shorter (2.40 Å) and one longer (2.81 Å) Zr(1)-Cd(1) bond length. In the second Zr site, Zr(2) is bonded in a distorted single-bond geometry to one W(1) and one Cd(1) atom. The Zr(2)-W(1) bond length is 1.82 Å. The Zr(2)-Cd(1) bond length is 2.30 Å. W(1) is bonded in a distorted water-like geometry to one Zr(1), one Zr(2), and two equivalent Cd(1) atoms. There is one shorter (2.37 Å) and one longer (2.51 Å) W(1)-Cd(1) bond length. Cd(1) is bonded in a 5-coordinate geometry to one Zr(2), two equivalent Zr(1), and two equivalent W(1) atoms.