data_PbSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbSe2Cl
_chemical_formula_sum   'Pb1 Se2 Cl1'
_cell_volume   98.64
_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
  Pb  Pb1  1  0.04  0.04  0.0  1.0
  Se  Se2  1  0.04  0.0  0.96  1.0
  Se  Se3  1  0.0  0.04  0.96  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_PbSe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PbSe2Cl
_chemical_formula_sum   'Pb2 Se4 Cl2'
_cell_volume   197.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Pb  Pb0  2  0.04  0.0  0.0  1.0
  Se  Se1  4  0.02  0.02  0.96  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Pb Se Se Cl
PbSe2Cl is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two PbSe2Cl clusters. Pb(1) is bonded in a 3-coordinate geometry to two equivalent Se(1) and one Cl(1) atom. Both Pb(1)-Se(1) bond lengths are 0.29 Å. The Pb(1)-Cl(1) bond length is 0.24 Å. Se(1) is bonded in a 3-coordinate geometry to one Pb(1), one Se(1), and one Cl(1) atom. The Se(1)-Se(1) bond length is 0.24 Å. The Se(1)-Cl(1) bond length is 0.29 Å. Cl(1) is bonded in a 3-coordinate geometry to one Pb(1) and two equivalent Se(1) atoms.