data_LaSi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSi2Br
_chemical_formula_sum   'La1 Si2 Br1'
_cell_volume   112.48
_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  0.87  1.0
  Si  Si2  1  0.21  0.21  0.99  1.0
  Si  Si3  1  0.21  0.21  0.75  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_LaSi2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaSi2Br
_chemical_formula_sum   'La2 Si4 Br2'
_cell_volume   224.96
_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  0.87  1.0
  Si  Si1  2  0.21  0.0  0.75  1.0
  Si  Si2  2  0.21  0.0  0.99  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

La Si Si Br
LaSi2Br is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaSi2Br clusters. La(1) is bonded in a single-bond geometry to one Si(1), one Si(2), and one Br(1) atom. The La(1)-Si(1) bond length is 1.50 Å. The La(1)-Si(2) bond length is 1.50 Å. The La(1)-Br(1) bond length is 0.74 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one La(1), one Si(2), and one Br(1) atom. The Si(1)-Si(2) bond length is 1.39 Å. The Si(1)-Br(1) bond length is 1.33 Å. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to one La(1) and one Si(1) atom. Br(1) is bonded in a distorted single-bond geometry to one La(1) and one Si(1) atom.