data_TeAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAs2Pb
_chemical_formula_sum   'Te1 As2 Pb1'
_cell_volume   99.83
_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
  Te  Te3  1  0.68  0.68  0.68  1.0
  As  As0  1  0.84  0.84  0.84  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.52  0.52  0.52  1.0

data_TeAs2Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TeAs2Pb
_chemical_formula_sum   'Te3 As6 Pb3'
_cell_volume   299.48
_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
  Te  Te0  3  0.0  0.0  0.32  1.0
  As  As1  3  0.0  0.0  0.0  1.0
  As  As2  3  0.0  0.0  0.16  1.0
  Pb  Pb3  3  0.0  0.0  0.48  1.0

Te As As Pb
PbAs2Te crystallizes in the trigonal R3m space group. Pb(1) is bonded in a distorted single-bond geometry to three equivalent As(1) and one Te(1) atom. All Pb(1)-As(1) bond lengths are 3.01 Å. The Pb(1)-Te(1) bond length is 2.03 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Pb(1), one As(2), and one Te(1) atom to form distorted AsTeAsPb3 trigonal bipyramids that share corners with six equivalent As(1)TeAsPb3 trigonal bipyramids and corners with three equivalent As(2)Te3As trigonal pyramids. The As(1)-As(2) bond length is 2.03 Å. The As(1)-Te(1) bond length is 2.03 Å. In the second As site, As(2) is bonded to one As(1) and three equivalent Te(1) atoms to form AsTe3As trigonal pyramids that share corners with three equivalent As(1)TeAsPb3 trigonal bipyramids and corners with six equivalent As(2)Te3As trigonal pyramids. All As(2)-Te(1) bond lengths are 3.01 Å. Te(1) is bonded in a distorted linear geometry to one Pb(1), one As(1), and three equivalent As(2) atoms.