data_Be2TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeAu
_chemical_formula_sum   'Be2 Te1 Au1'
_cell_volume   64.88
_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  0.59  0.59  0.59  1.0
  Be  Be2  1  0.78  0.78  0.78  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.19  0.19  0.19  1.0

data_Be2TeAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be2TeAu
_chemical_formula_sum   'Be6 Te3 Au3'
_cell_volume   194.65
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.22  1.0
  Be  Be1  3  0.0  0.0  0.41  1.0
  Te  Te2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.81  1.0

Be Be Te Au
Be2AuTe crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one Be(2), three equivalent Au(1), and three equivalent Te(1) atoms to form distorted edge-sharing BeBeTe3Au3 hexagonal pyramids. The Be(1)-Be(2) bond length is 2.09 Å. All Be(1)-Au(1) bond lengths are 2.72 Å. All Be(1)-Te(1) bond lengths are 2.72 Å. In the second Be site, Be(2) is bonded in a 8-coordinate geometry to one Be(1), three equivalent Au(1), and four equivalent Te(1) atoms. All Be(2)-Au(1) bond lengths are 2.72 Å. There is one shorter (2.39 Å) and three longer (2.91 Å) Be(2)-Te(1) bond lengths. Au(1) is bonded in a 7-coordinate geometry to three equivalent Be(1), three equivalent Be(2), and one Te(1) atom. The Au(1)-Te(1) bond length is 2.09 Å. Te(1) is bonded in a 2-coordinate geometry to three equivalent Be(1), four equivalent Be(2), and one Au(1) atom.