data_LiLaBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   144.33
_cell_angle_beta   144.33
_cell_angle_gamma   51.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaBr2
_chemical_formula_sum   'Li1 La1 Br2'
_cell_volume   107.41
_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
  Li  Li3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.0  0.09  0.07  1.0
  Br  Br0  1  0.09  0.0  0.07  1.0
  Br  Br1  1  0.0  0.0  0.15  1.0

data_LiLaBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.82
_cell_angle_alpha   107.84
_cell_angle_beta   107.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaBr2
_chemical_formula_sum   'Li1 La1 Br2'
_cell_volume   107.41
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.02  0.09  0.02  1.0
  Br  Br2  1  0.85  0.0  0.85  1.0
  Br  Br3  1  0.93  0.0  0.02  1.0

Li La Br Br
LiLaBr2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiLaBr2 cluster. Li(1) is bonded in a distorted single-bond geometry to one La(1), one Br(1), and one Br(2) atom. The Li(1)-La(1) bond length is 0.36 Å. The Li(1)-Br(1) bond length is 0.36 Å. The Li(1)-Br(2) bond length is 1.02 Å. La(1) is bonded in a 3-coordinate geometry to one Li(1), one Br(1), and one Br(2) atom. The La(1)-Br(1) bond length is 0.53 Å. The La(1)-Br(2) bond length is 1.07 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Li(1) and one La(1) atom. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to one Li(1) and one La(1) atom.