data_Ba2SrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.63
_cell_length_c   9.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrCd
_chemical_formula_sum   'Ba2 Sr1 Cd1'
_cell_volume   196.29
_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  0.19  0.32  0.08  1.0
  Ba  Ba1  1  0.0  0.0  0.69  1.0
  Sr  Sr3  1  0.0  0.0  0.91  1.0
  Cd  Cd2  1  0.19  0.32  0.81  1.0

data_Ba2SrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.63
_cell_length_c   9.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrCd
_chemical_formula_sum   'Ba2 Sr1 Cd1'
_cell_volume   196.29
_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  0.69  1.0
  Ba  Ba1  1  0.19  0.32  0.08  1.0
  Sr  Sr2  1  0.0  0.0  0.91  1.0
  Cd  Cd3  1  0.19  0.32  0.81  1.0

Ba Ba Sr Cd
Ba Ba Sr Cd 0 2 o o - 0 3 o o - 1 3 o o o 1 2 o o o 2 3 o o o 
Ba2SrCd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2SrCd cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Cd(1) atom. The Ba(1)-Sr(1) bond length is 2.36 Å. The Ba(1)-Cd(1) bond length is 2.59 Å. In the second Ba site, Ba(2) is bonded in a 2-coordinate geometry to one Sr(1) and one Cd(1) atom. The Ba(2)-Sr(1) bond length is 2.07 Å. The Ba(2)-Cd(1) bond length is 2.03 Å. Sr(1) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), and one Cd(1) atom. The Sr(1)-Cd(1) bond length is 1.95 Å. Cd(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Sr(1) atom.