data_Ca2AlCo9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   8.47
_cell_length_c   2.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlCo9
_chemical_formula_sum   'Ca2 Al1 Co9'
_cell_volume   158.68
_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
  Ca  Ca1  1  0.24  0.45  0.0  1.0
  Ca  Ca2  1  0.0  0.89  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.12  0.67  0.0  1.0
  Co  Co4  1  0.88  0.67  0.0  1.0
  Co  Co5  1  0.24  0.0  0.0  1.0
  Co  Co6  1  0.47  0.16  0.28  1.0
  Co  Co7  1  0.0  0.16  0.28  1.0
  Co  Co8  1  0.24  0.03  0.28  1.0
  Co  Co9  1  0.76  0.18  0.28  1.0
  Co  Co10  1  0.24  0.18  0.28  1.0
  Co  Co11  1  0.0  0.31  0.28  1.0

data_Ca2AlCo9
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   8.47
_cell_length_c   8.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlCo9
_chemical_formula_sum   'Ca2 Al1 Co9'
_cell_volume   158.68
_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
  Ca  Ca0  1  0.0  -0.0  0.89  1.0
  Ca  Ca1  1  0.0  0.24  0.45  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.24  0.0  1.0
  Co  Co4  1  0.0  0.12  0.67  1.0
  Co  Co5  1  0.0  0.88  0.67  1.0
  Co  Co6  1  0.28  -0.0  0.31  1.0
  Co  Co7  1  0.28  0.0  0.16  1.0
  Co  Co8  1  0.28  0.24  0.18  1.0
  Co  Co9  1  0.28  0.24  0.03  1.0
  Co  Co10  1  0.28  0.47  0.16  1.0
  Co  Co11  1  0.28  0.76  0.18  1.0

Ca Ca Al Co Co Co Co Co Co Co Co Co
Ca2Co9Al crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted single-bond geometry to one Co(1) and one Co(9) atom. The Ca(1)-Co(1) bond length is 2.55 Å. The Ca(1)-Co(9) bond length is 1.88 Å. In the second Ca site, Ca(2) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one Al(1) atom. The Ca(2)-Co(2) bond length is 1.64 Å. The Ca(2)-Co(3) bond length is 1.75 Å. The Ca(2)-Al(1) bond length is 0.91 Å. There are nine inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Co(2) atom. The Co(1)-Co(2) bond length is 2.01 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Ca(2) and one Co(1) atom. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to one Ca(2), one Co(4), and one Co(6) atom. The Co(3)-Co(4) bond length is 1.90 Å. The Co(3)-Co(6) bond length is 0.75 Å. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one Co(3), one Co(6), one Co(7), one Co(8), and two equivalent Co(4) atoms. The Co(4)-Co(6) bond length is 1.74 Å. The Co(4)-Co(7) bond length is 2.34 Å. The Co(4)-Co(8) bond length is 2.15 Å. Both Co(4)-Co(4) bond lengths are 2.55 Å. In the fifth Co site, Co(5) is bonded in a distorted bent 150 degrees geometry to one Co(7), one Co(9), and one Al(1) atom. The Co(5)-Co(7) bond length is 2.15 Å. The Co(5)-Co(9) bond length is 1.32 Å. The Co(5)-Al(1) bond length is 1.49 Å. In the sixth Co site, Co(6) is bonded in a 2-coordinate geometry to one Co(3), one Co(4), and one Co(8) atom. The Co(6)-Co(8) bond length is 1.32 Å. In the seventh Co site, Co(7) is bonded in a 5-coordinate geometry to one Co(4), one Co(5), one Co(9), and two equivalent Co(7) atoms. The Co(7)-Co(9) bond length is 1.74 Å. Both Co(7)-Co(7) bond lengths are 2.55 Å. In the eighth Co site, Co(8) is bonded in a 1-coordinate geometry to one Co(4) and one Co(6) atom. In the ninth Co site, Co(9) is bonded in a 2-coordinate geometry to one Ca(1), one Co(5), and one Co(7) atom. Al(1) is bonded in a 2-coordinate geometry to one Ca(2) and one Co(5) atom.