data_LaBeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeBr2
_chemical_formula_sum   'La1 Be1 Br2'
_cell_volume   107.62
_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  La3  1  0.81  0.81  0.32  1.0
  Be  Be0  1  0.0  0.0  0.28  1.0
  Br  Br1  1  0.81  0.81  0.33  1.0
  Br  Br2  1  0.0  0.0  0.5  1.0

data_LaBeBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBeBr2
_chemical_formula_sum   'La2 Be2 Br4'
_cell_volume   215.25
_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  0.31  0.5  0.32  1.0
  Be  Be1  2  0.0  0.0  0.28  1.0
  Br  Br2  2  0.0  0.0  0.5  1.0
  Br  Br3  2  0.31  0.5  0.33  1.0

La Be Br Br
BeLaBr2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeLaBr2 clusters. Be(1) is bonded in a 3-coordinate geometry to one La(1), one Br(1), and one Br(2) atom. The Be(1)-La(1) bond length is 1.00 Å. The Be(1)-Br(1) bond length is 1.02 Å. The Be(1)-Br(2) bond length is 1.73 Å. La(1) is bonded in a single-bond geometry to one Be(1) and one Br(1) atom. The La(1)-Br(1) bond length is 0.07 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Be(1) and one La(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Be(1) atom.