data_Zr2CdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   5.07
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   95.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdW
_chemical_formula_sum   'Zr2 Cd1 W1'
_cell_volume   81.33
_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  0.31  0.0  0.07  1.0
  Zr  Zr3  1  0.21  0.53  0.6  1.0
  Cd  Cd0  1  0.85  0.0  0.49  1.0
  W  W1  1  0.7  0.53  0.37  1.0

data_Zr2CdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.07
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   95.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdW
_chemical_formula_sum   'Zr2 Cd1 W1'
_cell_volume   81.33
_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  0.21  0.53  0.6  1.0
  Zr  Zr1  1  0.31  0.0  0.07  1.0
  Cd  Cd2  1  0.85  0.0  0.49  1.0
  W  W3  1  0.7  0.53  0.37  1.0

Zr Zr Cd W
Zr Zr Cd W 0 2 - o - 0 2 - o o 0 2 o o o 0 0 + o o 0 3 o - o 0 3 o o o 1 3 - o o 1 3 o o o 1 2 o + o 1 2 - + o 1 2 - o o 2 3 o - o 2 3 o o o 2 2 + o o 
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 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), four equivalent W(1), and four equivalent Cd(1) atoms. Both Zr(1)-Zr(1) bond lengths are 2.96 Å. There is one shorter (3.46 Å) and one longer (3.71 Å) Zr(1)-Zr(2) bond length. There are a spread of Zr(1)-W(1) bond distances ranging from 3.04-3.74 Å. There are a spread of Zr(1)-Cd(1) bond distances ranging from 2.65-3.69 Å. In the second Zr site, Zr(2) is bonded in a distorted water-like geometry to two equivalent Zr(1), two equivalent W(1), and one Cd(1) atom. There is one shorter (1.86 Å) and one longer (2.00 Å) Zr(2)-W(1) bond length. The Zr(2)-Cd(1) bond length is 2.63 Å. W(1) is bonded in a distorted water-like geometry to two equivalent Zr(2), four equivalent Zr(1), and two equivalent Cd(1) atoms. There is one shorter (2.47 Å) and one longer (2.81 Å) W(1)-Cd(1) bond length. Cd(1) is bonded in a 5-coordinate geometry to one Zr(2), four equivalent Zr(1), and two equivalent W(1) atoms.