data_La2BeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BeAu
_chemical_formula_sum   'La2 Be1 Au1'
_cell_volume   101.03
_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  0.86  0.86  0.7  1.0
  La  La3  1  0.86  0.86  0.61  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.66  1.0

data_La2BeAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2BeAu
_chemical_formula_sum   'La4 Be2 Au2'
_cell_volume   202.05
_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  0.36  0.5  0.61  1.0
  La  La1  2  0.36  0.5  0.7  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.66  1.0

La La Be Au
La La Be Au 0 1 o o o 0 2 + + + 0 3 + + o 1 3 + + o 2 3 o o - 
BeLa2Au crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeLa2Au clusters. Be(1) is bonded in a 2-coordinate geometry to one La(1) and one Au(1) atom. The Be(1)-La(1) bond length is 2.31 Å. The Be(1)-Au(1) bond length is 2.50 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one Be(1), one La(2), and one Au(1) atom. The La(1)-La(2) bond length is 0.63 Å. The La(1)-Au(1) bond length is 0.81 Å. In the second La site, La(2) is bonded in a 2-coordinate geometry to one La(1) and one Au(1) atom. The La(2)-Au(1) bond length is 0.81 Å. Au(1) is bonded in a 2-coordinate geometry to one Be(1), one La(1), and one La(2) atom.