data_Ge3PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3PbW
_chemical_formula_sum   'Ge3 Pb1 W1'
_cell_volume   140.07
_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
  Ge  Ge1  1  0.6  0.0  0.6  1.0
  Ge  Ge2  1  0.6  0.6  0.0  1.0
  Ge  Ge3  1  0.0  0.6  0.6  1.0
  Pb  Pb0  1  0.6  0.6  0.6  1.0
  W  W4  1  0.0  0.0  0.0  1.0

data_Ge3PbW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ge3PbW
_chemical_formula_sum   'Ge9 Pb3 W3'
_cell_volume   420.2
_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
  Ge  Ge0  9  0.2  0.4  0.4  1.0
  Pb  Pb1  3  0.0  0.0  0.6  1.0
  W  W2  3  0.0  0.0  0.0  1.0

Ge Ge Ge Pb W
Ge Ge Ge Pb W 0 3 o - o 0 4 + o + 1 3 o o - 1 4 + + o 2 3 - o o 2 4 o + + 3 4 + + + 
WPbGe3 crystallizes in the trigonal R3m space group. W(1) is bonded in a 3-coordinate geometry to three equivalent Ge(1) atoms. All W(1)-Ge(1) bond lengths are 2.96 Å. Pb(1) is bonded to six equivalent Ge(1) atoms to form distorted corner-sharing PbGe6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.09 Å) and three longer (3.10 Å) Pb(1)-Ge(1) bond lengths. Ge(1) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Pb(1) atoms.