data_LaTe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTe2Br
_chemical_formula_sum   'La1 Te2 Br1'
_cell_volume   140.53
_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  0.92  1.0
  Te  Te2  1  0.96  0.0  0.71  1.0
  Te  Te3  1  0.96  0.0  0.13  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_LaTe2Br
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaTe2Br
_chemical_formula_sum   'La1 Te2 Br1'
_cell_volume   140.56
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  La0  1  0.0  0.0  0.92  1.0
  Te  Te1  1  0.96  0.0  0.13  1.0
  Te  Te2  1  0.96  0.0  0.71  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

La Te Te Br
LaTe2Br is Cyanogen Chloride-like structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one LaTe2Br cluster. La(1) is bonded in a distorted linear geometry to one Te(1) and one Br(1) atom. The La(1)-Te(1) bond length is 1.63 Å. The La(1)-Br(1) bond length is 0.62 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one La(1) atom. In the second Te site, Te(2) is bonded in a single-bond geometry to one Br(1) atom. The Te(2)-Br(1) bond length is 1.01 Å. Br(1) is bonded in a linear geometry to one La(1) and one Te(2) atom.