data_Be3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Pd
_chemical_formula_sum   'Be6 Pd2'
_cell_volume   80.87
_cell_formula_units_Z   2
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  0.16  0.24  0.0  1.0
  Be  Be1  1  0.16  0.08  0.0  1.0
  Be  Be2  1  0.24  0.0  0.16  1.0
  Be  Be3  1  0.0  0.16  0.24  1.0
  Be  Be4  1  0.0  0.16  0.08  1.0
  Be  Be5  1  0.08  0.0  0.16  1.0
  Pd  Pd6  1  0.16  0.16  0.16  1.0
  Pd  Pd7  1  0.0  0.0  0.0  1.0

data_Be3Pd
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Be3Pd
_chemical_formula_sum   'Be18 Pd6'
_cell_volume   242.6
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.0  0.92  0.08  1.0
  Be  Be1  9  0.03  0.14  0.14  1.0
  Pd  Pd2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.16  1.0

Be Be Be Be Be Be Pd Pd
Be3Pd is alpha Po structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three Be3Pd clusters. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 3-coordinate geometry to two equivalent Be(2) and one Pd(1) atom. There is one shorter (0.70 Å) and one longer (0.86 Å) Be(1)-Be(2) bond length. The Be(1)-Pd(1) bond length is 0.78 Å. In the second Be site, Be(2) is bonded in a distorted single-bond geometry to two equivalent Be(1), one Pd(1), and one Pd(2) atom. The Be(2)-Pd(1) bond length is 0.78 Å. The Be(2)-Pd(2) bond length is 0.78 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to three equivalent Be(1) and three equivalent Be(2) atoms. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to three equivalent Be(2) atoms.