data_Be3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Pd
_chemical_formula_sum   'Be3 Pd1'
_cell_volume   38.46
_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  0.83  0.0  0.22  1.0
  Be  Be1  1  0.83  0.0  0.2  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.71  1.0

data_Be3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Pd
_chemical_formula_sum   'Be3 Pd1'
_cell_volume   38.46
_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
  Be  Be1  1  0.83  0.0  0.2  1.0
  Be  Be2  1  0.83  0.0  0.22  1.0
  Pd  Pd3  1  0.0  0.0  0.71  1.0

Be Be Be Pd
Be Be Be Pd 0 1 o o o 0 2 + o o 1 2 + o o 2 3 o o - 
Be3Pd is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Be3Pd cluster. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to one Be(2) atom. The Be(1)-Be(2) bond length is 0.11 Å. In the second Be site, Be(2) is bonded in a distorted single-bond geometry to one Be(1) and one Be(3) atom. The Be(2)-Be(3) bond length is 1.15 Å. In the third Be site, Be(3) is bonded in a distorted bent 150 degrees geometry to one Be(2) and one Pd(1) atom. The Be(3)-Pd(1) bond length is 1.59 Å. Pd(1) is bonded in a distorted single-bond geometry to one Be(3) atom.