data_ZrCdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdW2
_chemical_formula_sum   'Zr1 Cd1 W2'
_cell_volume   74.14
_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  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.76  1.0
  W  W1  1  0.4  0.4  0.09  1.0
  W  W2  1  0.4  0.4  0.43  1.0

data_ZrCdW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCdW2
_chemical_formula_sum   'Zr2 Cd2 W4'
_cell_volume   148.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.76  1.0
  W  W2  2  0.4  0.0  0.09  1.0
  W  W3  2  0.4  0.0  0.43  1.0

Zr Cd W W
Zr Cd W W 0 2 - o o 0 2 o - o 0 2 o o o 0 1 o o - 1 1 + o o 1 1 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
ZrW2Cd crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a 5-coordinate geometry to four equivalent W(1) and one Cd(1) atom. There are a spread of Zr(1)-W(1) bond distances ranging from 1.80-2.55 Å. The Zr(1)-Cd(1) bond length is 2.28 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to four equivalent Zr(1) and one W(2) atom. The W(1)-W(2) bond length is 3.16 Å. In the second W site, W(2) is bonded in a 6-coordinate geometry to one W(1), four equivalent W(2), and one Cd(1) atom. All W(2)-W(2) bond lengths are 2.79 Å. The W(2)-Cd(1) bond length is 3.54 Å. Cd(1) is bonded in a distorted single-bond geometry to one Zr(1) and one W(2) atom.