data_GaTePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTePb
_chemical_formula_sum   'Ga1 Te1 Pb1'
_cell_volume   92.77
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.8  0.8  0.8  1.0
  Pb  Pb1  1  0.39  0.39  0.39  1.0

data_GaTePb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaTePb
_chemical_formula_sum   'Ga3 Te3 Pb3'
_cell_volume   278.3
_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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Te  Te1  3  0.0  0.0  0.2  1.0
  Pb  Pb2  3  0.0  0.0  0.61  1.0

Ga Te Pb
Ga Te Pb 0 1 - - - 0 1 - - o 0 1 o - - 0 1 - o - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o + 1 2 o + o 1 2 + o o 
PbTe(Ga) crystallizes in the trigonal R3m space group. Ga(1) is bonded to three equivalent Pb(1) and one Te(1) atom to form distorted GaTePb3 tetrahedra that share corners with three equivalent Te(1)GaPb3 tetrahedra, corners with six equivalent Ga(1)TePb3 tetrahedra, and edges with three equivalent Te(1)GaPb3 tetrahedra. All Ga(1)-Pb(1) bond lengths are 3.02 Å. The Ga(1)-Te(1) bond length is 2.53 Å. Pb(1) is bonded in a distorted hexagonal planar geometry to three equivalent Ga(1) and three equivalent Te(1) atoms. All Pb(1)-Te(1) bond lengths are 3.07 Å. Te(1) is bonded to one Ga(1) and three equivalent Pb(1) atoms to form distorted TeGaPb3 tetrahedra that share corners with three equivalent Ga(1)TePb3 tetrahedra, corners with six equivalent Te(1)GaPb3 tetrahedra, and edges with three equivalent Ga(1)TePb3 tetrahedra.