data_LaBAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   148.46
_cell_angle_beta   148.46
_cell_angle_gamma   45.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBAu
_chemical_formula_sum   'La1 B1 Au1'
_cell_volume   55.47
_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  La2  1  0.0  0.0  0.33  1.0
  B  B1  1  0.0  0.0  0.01  1.0
  Au  Au0  1  0.0  0.0  0.37  1.0

data_LaBAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   112.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBAu
_chemical_formula_sum   'La2 B2 Au2'
_cell_volume   110.94
_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  0.67  1.0
  B  B1  2  0.0  0.0  0.99  1.0
  Au  Au2  2  0.0  0.0  0.63  1.0

La B Au
La B Au 0 2 o o o 0 1 o o o 1 2 o o o 
LaAuB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaAuB clusters. La(1) is bonded in a single-bond geometry to one Au(1) and one B(1) atom. The La(1)-Au(1) bond length is 0.24 Å. The La(1)-B(1) bond length is 1.89 Å. Au(1) is bonded in a single-bond geometry to one La(1) atom. B(1) is bonded in a single-bond geometry to one La(1) atom.