data_AlCd2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   5.0
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   92.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Co
_chemical_formula_sum   'Al1 Cd2 Co1'
_cell_volume   69.13
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.58  0.5  0.66  1.0
  Cd  Cd2  1  0.04  0.5  0.25  1.0
  Co  Co3  1  0.31  0.0  0.46  1.0

data_AlCd2Co
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.82
_cell_length_b   5.0
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   92.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlCd2Co
_chemical_formula_sum   'Al1 Cd2 Co1'
_cell_volume   69.13
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.04  0.5  0.25  1.0
  Cd  Cd2  1  0.58  0.5  0.66  1.0
  Co  Co3  1  0.31  0.0  0.46  1.0

Al Cd Cd Co
Al Cd Cd Co 0 1 - - - 0 1 - o - 0 3 - o - 0 3 - o o 0 3 o o - 0 3 o o o 0 0 + o o 0 2 o - o 0 2 o o o 1 3 o o o 1 3 o + o 1 2 o o o 1 2 + o o 1 2 + o + 1 1 + o o 2 2 + o o 2 3 o o o 2 3 o + o 3 3 + o o 
CoCd2Al crystallizes in the triclinic P1 space group. Co(1) is bonded in a 1-coordinate geometry to two equivalent Cd(1), four equivalent Cd(2), and one Al(1) atom. There is one shorter (2.78 Å) and one longer (2.80 Å) Co(1)-Cd(1) bond length. There are a spread of Co(1)-Cd(2) bond distances ranging from 2.78-3.43 Å. The Co(1)-Al(1) bond length is 2.38 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent Co(1) and four equivalent Cd(2) atoms. There are a spread of Cd(1)-Cd(2) bond distances ranging from 2.48-3.29 Å. In the second Cd site, Cd(2) is bonded in a 12-coordinate geometry to four equivalent Co(1), two equivalent Cd(2), four equivalent Cd(1), and two equivalent Al(1) atoms. Both Cd(2)-Cd(2) bond lengths are 2.82 Å. There is one shorter (2.77 Å) and one longer (2.79 Å) Cd(2)-Al(1) bond length. Al(1) is bonded in a 1-coordinate geometry to one Co(1) and two equivalent Cd(2) atoms.