data_PbSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49
_cell_length_b   10.49
_cell_length_c   10.49
_cell_angle_alpha   22.56
_cell_angle_beta   22.56
_cell_angle_gamma   22.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbSeCl2
_chemical_formula_sum   'Pb1 Se1 Cl2'
_cell_volume   148.88
_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  Pb2  1  0.0  0.0  0.32  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.88  1.0
  Cl  Cl1  1  0.0  0.0  0.76  1.0

data_PbSeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.11
_cell_length_b   4.1
_cell_length_c   10.49
_cell_angle_alpha   90.0
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PbSeCl2
_chemical_formula_sum   'Pb2 Se2 Cl4'
_cell_volume   297.76
_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  0.0  0.0  0.68  1.0
  Se  Se1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.12  1.0
  Cl  Cl3  2  0.0  0.0  0.24  1.0

Pb Se Cl Cl
Pb Se Cl Cl 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o - 2 3 o o o 
PbSeCl2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two PbSeCl2 clusters. Pb(1) is bonded in a single-bond geometry to one Se(1) atom. The Pb(1)-Se(1) bond length is 3.37 Å. Se(1) is bonded in a single-bond geometry to one Pb(1) and one Cl(1) atom. The Se(1)-Cl(1) bond length is 1.27 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted linear geometry to one Se(1) and one Cl(2) atom. The Cl(1)-Cl(2) bond length is 1.20 Å. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cl(1) atom.