data_LaSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSn2Br
_chemical_formula_sum   'La1 Sn2 Br1'
_cell_volume   121.11
_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
  La  La1  1  0.0  0.0  0.16  1.0
  Sn  Sn2  1  0.91  0.91  0.17  1.0
  Sn  Sn3  1  0.91  0.91  0.15  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_LaSn2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaSn2Br
_chemical_formula_sum   'La2 Sn4 Br2'
_cell_volume   242.23
_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
  La  La0  2  0.0  0.0  0.16  1.0
  Sn  Sn1  2  0.41  0.5  0.15  1.0
  Sn  Sn2  2  0.41  0.5  0.17  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

La Sn Sn Br
La Sn Sn Br 0 2 - - o 0 1 - - o 0 3 o o o 1 2 o o o 1 3 + + o 2 3 + + o 
LaSn2Br crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaSn2Br clusters. La(1) is bonded in a 1-coordinate geometry to one Sn(2) and one Br(1) atom. The La(1)-Sn(2) bond length is 0.51 Å. The La(1)-Br(1) bond length is 1.33 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted single-bond geometry to one Sn(2) atom. The Sn(1)-Sn(2) bond length is 0.20 Å. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one La(1), one Sn(1), and one Br(1) atom. The Sn(2)-Br(1) bond length is 1.33 Å. Br(1) is bonded in a 2-coordinate geometry to one La(1) and one Sn(2) atom.