data_Ba2BeCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeCd
_chemical_formula_sum   'Ba2 Be1 Cd1'
_cell_volume   145.79
_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
  Ba  Ba0  1  0.0  0.0  0.54  1.0
  Ba  Ba1  1  0.98  0.98  0.09  1.0
  Be  Be2  1  0.0  0.0  0.14  1.0
  Cd  Cd3  1  0.98  0.98  0.37  1.0

data_Ba2BeCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2BeCd
_chemical_formula_sum   'Ba4 Be2 Cd2'
_cell_volume   291.57
_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
  Ba  Ba0  2  0.0  0.0  0.54  1.0
  Ba  Ba1  2  0.48  0.5  0.09  1.0
  Be  Be2  2  0.0  0.0  0.14  1.0
  Cd  Cd3  2  0.48  0.5  0.37  1.0

Ba Ba Be Cd
Ba2BeCd crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2BeCd clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Cd(1) atom. The Ba(1)-Cd(1) bond length is 1.50 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one Be(1) atom. The Ba(2)-Be(1) bond length is 0.47 Å. Be(1) is bonded in a single-bond geometry to one Ba(2) and one Cd(1) atom. The Be(1)-Cd(1) bond length is 2.17 Å. Cd(1) is bonded in a distorted linear geometry to one Ba(1) and one Be(1) atom.