data_CaTe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   3.99
_cell_angle_alpha   92.9
_cell_angle_beta   92.9
_cell_angle_gamma   90.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2Pb
_chemical_formula_sum   'Ca1 Te2 Pb1'
_cell_volume   124.07
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.83  0.02  0.99  1.0
  Te  Te3  1  0.83  0.98  0.99  1.0
  Pb  Pb1  1  0.94  0.0  0.0  1.0

data_CaTe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   90.28
_cell_angle_beta   92.9
_cell_angle_gamma   92.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2Pb
_chemical_formula_sum   'Ca1 Te2 Pb1'
_cell_volume   124.07
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.99  0.83  0.02  1.0
  Te  Te2  1  0.99  0.83  0.98  1.0
  Pb  Pb3  1  0.0  0.94  0.0  1.0

Ca Te Te Pb
CaPbTe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaPbTe2 cluster. Ca(1) is bonded in a single-bond geometry to one Pb(1) atom. The Ca(1)-Pb(1) bond length is 0.34 Å. Pb(1) is bonded in a distorted single-bond geometry to one Ca(1), one Te(1), and one Te(2) atom. The Pb(1)-Te(1) bond length is 0.64 Å. The Pb(1)-Te(2) bond length is 0.64 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted L-shaped geometry to one Pb(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 0.23 Å. In the second Te site, Te(2) is bonded in a distorted L-shaped geometry to one Pb(1) and one Te(1) atom.