data_TePb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   5.39
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePb2Se
_chemical_formula_sum   'Te1 Pb2 Se1'
_cell_volume   117.02
_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  0.0  0.7  0.75  1.0
  Pb  Pb0  1  0.97  0.7  0.0  1.0
  Pb  Pb1  1  0.97  0.0  0.75  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_TePb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.39
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePb2Se
_chemical_formula_sum   'Te1 Pb2 Se1'
_cell_volume   117.02
_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  Te0  1  0.0  0.7  0.75  1.0
  Pb  Pb1  1  0.97  0.0  0.75  1.0
  Pb  Pb2  1  0.97  0.7  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Te Pb Pb Se
Pb2TeSe is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Pb2TeSe cluster. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in an L-shaped geometry to one Te(1) and one Se(1) atom. The Pb(1)-Te(1) bond length is 1.36 Å. The Pb(1)-Se(1) bond length is 1.65 Å. In the second Pb site, Pb(2) is bonded in an L-shaped geometry to one Te(1) and one Se(1) atom. The Pb(2)-Te(1) bond length is 1.65 Å. The Pb(2)-Se(1) bond length is 1.36 Å. Te(1) is bonded in an L-shaped geometry to one Pb(1) and one Pb(2) atom. Se(1) is bonded in an L-shaped geometry to one Pb(1) and one Pb(2) atom.