data_NbCd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.28
_cell_length_b   10.28
_cell_length_c   10.28
_cell_angle_alpha   16.27
_cell_angle_beta   16.27
_cell_angle_gamma   16.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2W
_chemical_formula_sum   'Nb1 Cd2 W1'
_cell_volume   74.37
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.87  1.0
  Cd  Cd1  1  0.0  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.21  1.0

data_NbCd2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   99.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCd2W
_chemical_formula_sum   'Nb2 Cd4 W2'
_cell_volume   148.74
_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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.13  1.0
  Cd  Cd2  2  0.0  0.0  0.45  1.0
  W  W3  2  0.0  0.0  0.79  1.0

Nb Cd Cd W
Nb Cd Cd W 0 1 o o - 0 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 3 3 o + - 3 3 + - o 3 3 + o - 
NbWCd2 crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a linear geometry to one W(1) and one Cd(1) atom. The Nb(1)-W(1) bond length is 2.18 Å. The Nb(1)-Cd(1) bond length is 1.30 Å. W(1) is bonded in a single-bond geometry to one Nb(1) and one Cd(2) atom. The W(1)-Cd(2) bond length is 3.48 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Nb(1) and one Cd(2) atom. The Cd(1)-Cd(2) bond length is 3.31 Å. In the second Cd site, Cd(2) is bonded to one W(1), one Cd(1), and six equivalent Cd(2) atoms to form a mixture of distorted edge and corner-sharing CdCd7W hexagonal bipyramids. All Cd(2)-Cd(2) bond lengths are 2.91 Å.