data_CdBiPbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiPbW
_chemical_formula_sum   'Cd1 Bi1 Pb1 W1'
_cell_volume   98.52
_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
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.83  0.83  0.83  1.0
  Pb  Pb2  1  0.67  0.67  0.67  1.0
  W  W3  1  0.5  0.5  0.5  1.0

data_CdBiPbW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdBiPbW
_chemical_formula_sum   'Cd3 Bi3 Pb3 W3'
_cell_volume   295.56
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cd  Cd0  3  0.0  0.0  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.17  1.0
  Pb  Pb2  3  0.0  0.0  0.33  1.0
  W  W3  3  0.0  0.0  0.5  1.0

Cd Bi Pb W
Cd Bi Pb W 0 1 - - - 1 2 o o o 2 3 o o o 
WCdPbBi crystallizes in the trigonal R3m space group. W(1) is bonded in a 4-coordinate geometry to one Pb(1) and three equivalent Bi(1) atoms. The W(1)-Pb(1) bond length is 2.12 Å. All W(1)-Bi(1) bond lengths are 2.99 Å. Cd(1) is bonded in a 4-coordinate geometry to three equivalent Pb(1) and one Bi(1) atom. All Cd(1)-Pb(1) bond lengths are 2.99 Å. The Cd(1)-Bi(1) bond length is 2.12 Å. Pb(1) is bonded to one W(1), three equivalent Cd(1), and one Bi(1) atom to form distorted PbCd3BiW trigonal bipyramids that share corners with six equivalent Pb(1)Cd3BiW trigonal bipyramids and edges with three equivalent Bi(1)CdPbW3 trigonal bipyramids. The Pb(1)-Bi(1) bond length is 2.12 Å. Bi(1) is bonded to three equivalent W(1), one Cd(1), and one Pb(1) atom to form distorted BiCdPbW3 trigonal bipyramids that share corners with six equivalent Bi(1)CdPbW3 trigonal bipyramids and edges with three equivalent Pb(1)Cd3BiW trigonal bipyramids.