data_BaLaBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaBr
_chemical_formula_sum   'Ba1 La1 Br1'
_cell_volume   119.06
_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
  Ba  Ba0  1  1.0  0.82  0.41  1.0
  La  La2  1  0.44  0.41  0.29  1.0
  Br  Br1  1  0.0  0.0  0.08  1.0

data_BaLaBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaBr
_chemical_formula_sum   'Ba1 La1 Br1'
_cell_volume   119.06
_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
  Ba  Ba0  1  1.0  0.82  0.41  1.0
  La  La1  1  0.44  0.41  0.29  1.0
  Br  Br2  1  0.0  0.0  0.08  1.0

Ba La Br
Ba La Br 0 2 + + o 0 1 + + o 0 1 o o o 1 2 o o o 
BaLaBr is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaLaBr cluster. Ba(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The Ba(1)-Br(1) bond length is 2.06 Å. La(1) is bonded in a 1-coordinate geometry to one Br(1) atom. The La(1)-Br(1) bond length is 2.38 Å. Br(1) is bonded in a 2-coordinate geometry to one Ba(1) and one La(1) atom.