data_Be3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   4.25
_cell_angle_alpha   131.29
_cell_angle_beta   131.29
_cell_angle_gamma   71.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Au
_chemical_formula_sum   'Be3 Au1'
_cell_volume   42.57
_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  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.0  0.75  0.73  1.0
  Be  Be3  1  0.75  0.0  0.73  1.0
  Au  Au0  1  0.0  0.0  0.46  1.0

data_Be3Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   125.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be3Au
_chemical_formula_sum   'Be6 Au2'
_cell_volume   85.14
_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
  Be  Be0  4  0.15  0.12  0.03  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.04  0.5  0.54  1.0

Be Be Be Au
Be Be Be Au 0 2 - o - 0 1 o - - 0 3 o o o 0 3 o o - 1 3 o + o 2 3 + o o 
Be3Au crystallizes in the monoclinic Cm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted trigonal planar geometry to two equivalent Be(2) and one Au(1) atom. Both Be(1)-Be(2) bond lengths are 0.91 Å. The Be(1)-Au(1) bond length is 1.94 Å. In the second Be site, Be(2) is bonded in a 4-coordinate geometry to one Be(1), one Be(2), and two equivalent Au(1) atoms. The Be(2)-Be(2) bond length is 1.22 Å. There is one shorter (2.01 Å) and one longer (2.60 Å) Be(2)-Au(1) bond length. Au(1) is bonded in a 5-coordinate geometry to one Be(1) and four equivalent Be(2) atoms.