data_Ba2AlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   123.7
_cell_angle_beta   123.7
_cell_angle_gamma   83.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlCo
_chemical_formula_sum   'Ba2 Al1 Co1'
_cell_volume   115.11
_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  0.63  0.0  0.08  1.0
  Ba  Ba2  1  0.0  0.0  0.16  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.63  0.08  1.0

data_Ba2AlCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.58
_cell_angle_alpha   118.15
_cell_angle_beta   118.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlCo
_chemical_formula_sum   'Ba2 Al1 Co1'
_cell_volume   115.11
_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  0.08  0.45  0.45  1.0
  Ba  Ba1  1  0.16  0.16  0.16  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.45  0.08  0.45  1.0

Ba Ba Al Co
Ba2CoAl crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Co(1), and two equivalent Al(1) atoms. The Ba(1)-Ba(2) bond length is 1.85 Å. There is one shorter (2.74 Å) and two longer (3.85 Å) Ba(1)-Co(1) bond lengths. There is one shorter (2.32 Å) and one longer (3.30 Å) Ba(1)-Al(1) bond length. In the second Ba site, Ba(2) is bonded in a 2-coordinate geometry to one Ba(1), one Co(1), and one Al(1) atom. The Ba(2)-Co(1) bond length is 1.85 Å. The Ba(2)-Al(1) bond length is 0.87 Å. Co(1) is bonded in a single-bond geometry to one Ba(2) and three equivalent Ba(1) atoms. Al(1) is bonded in a single-bond geometry to one Ba(2) and two equivalent Ba(1) atoms.