data_LaBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   138.04
_cell_angle_beta   138.04
_cell_angle_gamma   60.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBi2B
_chemical_formula_sum   'La1 Bi2 B1'
_cell_volume   106.77
_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  0.0  0.0  0.37  1.0
  Bi  Bi1  1  0.23  0.0  0.68  1.0
  Bi  Bi2  1  0.0  0.23  0.68  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_LaBi2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   120.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBi2B
_chemical_formula_sum   'La2 Bi4 B2'
_cell_volume   213.55
_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  0.37  1.0
  Bi  Bi1  4  0.39  0.39  0.46  1.0
  B  B2  2  0.0  0.0  0.0  1.0

La Bi Bi B
La Bi Bi B 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 
LaBBi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaBBi2 clusters. La(1) is bonded in a 3-coordinate geometry to one B(1) and two equivalent Bi(1) atoms. The La(1)-B(1) bond length is 2.30 Å. Both La(1)-Bi(1) bond lengths are 1.31 Å. B(1) is bonded in a single-bond geometry to one La(1) atom. Bi(1) is bonded in a single-bond geometry to one La(1) atom.