data_BiSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSe2Cl
_chemical_formula_sum   'Bi1 Se2 Cl1'
_cell_volume   111.08
_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
  Bi  Bi0  1  0.9  0.9  0.66  1.0
  Se  Se2  1  0.9  0.9  0.92  1.0
  Se  Se3  1  0.0  0.0  0.51  1.0
  Cl  Cl1  1  0.0  0.0  0.43  1.0

data_BiSe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiSe2Cl
_chemical_formula_sum   'Bi2 Se4 Cl2'
_cell_volume   222.16
_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
  Bi  Bi0  2  0.4  0.5  0.66  1.0
  Se  Se1  2  0.0  0.0  0.51  1.0
  Se  Se2  2  0.4  0.5  0.92  1.0
  Cl  Cl3  2  0.0  0.0  0.43  1.0

Bi Se Se Cl
BiSe2Cl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BiSe2Cl clusters. Bi(1) is bonded in a bent 150 degrees geometry to one Se(1) and one Se(2) atom. The Bi(1)-Se(1) bond length is 1.97 Å. The Bi(1)-Se(2) bond length is 1.29 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one Bi(1) atom. In the second Se site, Se(2) is bonded in a bent 150 degrees geometry to one Bi(1) and one Cl(1) atom. The Se(2)-Cl(1) bond length is 0.62 Å. Cl(1) is bonded in a single-bond geometry to one Se(2) atom.