data_BeAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   116.69
_cell_angle_beta   116.69
_cell_angle_gamma   116.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAu3
_chemical_formula_sum   'Be1 Au3'
_cell_volume   66.08
_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
  Be  Be3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.77  0.71  0.96  1.0
  Au  Au1  1  0.0  0.57  0.96  1.0
  Au  Au2  1  0.23  0.71  0.96  1.0

data_BeAu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   116.69
_cell_angle_beta   100.6
_cell_angle_gamma   100.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAu3
_chemical_formula_sum   'Be1 Au3'
_cell_volume   66.08
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.96  0.19  0.25  1.0
  Au  Au2  1  0.96  0.74  0.25  1.0
  Au  Au3  1  0.96  0.96  0.39  1.0

Be Au Au Au
BeAu3 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeAu3 cluster. Be(1) is bonded in a single-bond geometry to one Au(1) and one Au(3) atom. The Be(1)-Au(1) bond length is 1.27 Å. The Be(1)-Au(3) bond length is 2.28 Å. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Be(1) atom. In the second Au site, Au(2) is bonded in a 1-coordinate geometry to one Au(3) atom. The Au(2)-Au(3) bond length is 1.08 Å. In the third Au site, Au(3) is bonded in a 2-coordinate geometry to one Be(1) and one Au(2) atom.