data_Ba2AlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlCo
_chemical_formula_sum   'Ba2 Al1 Co1'
_cell_volume   120.31
_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  Ba1  1  0.96  0.96  0.96  1.0
  Ba  Ba2  1  0.96  0.96  0.87  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.0  0.92  1.0

data_Ba2AlCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2AlCo
_chemical_formula_sum   'Ba4 Al2 Co2'
_cell_volume   240.61
_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  0.46  0.5  0.87  1.0
  Ba  Ba1  2  0.46  0.5  0.96  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Co  Co3  2  0.0  0.0  0.92  1.0

Ba Ba Al Co
Ba Ba Al Co 0 3 + + o 0 2 + + + 1 3 + + o 
Ba2CoAl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2CoAl clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to one Co(1) and one Al(1) atom. The Ba(1)-Co(1) bond length is 0.43 Å. The Ba(1)-Al(1) bond length is 0.37 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one Co(1) atom. The Ba(2)-Co(1) bond length is 0.43 Å. Co(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. Al(1) is bonded in a single-bond geometry to one Ba(1) atom.