data_TaTe2Pb
_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   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe2Pb
_chemical_formula_sum   'Ta1 Te2 Pb1'
_cell_volume   98.76
_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
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.5  0.5  0.5  1.0
  Te  Te3  1  0.83  0.83  0.83  1.0
  Pb  Pb0  1  0.67  0.67  0.67  1.0

data_TaTe2Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaTe2Pb
_chemical_formula_sum   'Ta3 Te6 Pb3'
_cell_volume   296.27
_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
  Ta  Ta0  3  0.0  0.0  0.0  1.0
  Te  Te1  3  0.0  0.0  0.17  1.0
  Te  Te2  3  0.0  0.0  0.5  1.0
  Pb  Pb3  3  0.0  0.0  0.33  1.0

Ta Te Te Pb
TaPbTe2 crystallizes in the trigonal R3m space group. Ta(1) is bonded to three equivalent Pb(1) and one Te(2) atom to form distorted TaTePb3 trigonal pyramids that share  a cornercorner with one Pb(1)Ta3Te2 trigonal bipyramid and corners with six equivalent Ta(1)TePb3 trigonal pyramids. All Ta(1)-Pb(1) bond lengths are 3.00 Å. The Ta(1)-Te(2) bond length is 2.11 Å. Pb(1) is bonded to three equivalent Ta(1), one Te(1), and one Te(2) atom to form PbTa3Te2 trigonal bipyramids that share corners with six equivalent Pb(1)Ta3Te2 trigonal bipyramids and  a cornercorner with one Ta(1)TePb3 trigonal pyramid. The Pb(1)-Te(1) bond length is 2.11 Å. The Pb(1)-Te(2) bond length is 2.11 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Pb(1) atom. In the second Te site, Te(2) is bonded in a linear geometry to one Ta(1) and one Pb(1) atom.