data_CaCdCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.49
_cell_angle_alpha   115.77
_cell_angle_beta   115.77
_cell_angle_gamma   49.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdCo2
_chemical_formula_sum   'Ca1 Cd1 Co2'
_cell_volume   82.93
_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  0.0  1.0
  Cd  Cd1  1  0.01  0.0  0.41  1.0
  Co  Co2  1  0.4  0.0  0.75  1.0
  Co  Co3  1  0.63  0.0  0.06  1.0

data_CaCdCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.76
_cell_length_c   5.48
_cell_angle_alpha   64.33
_cell_angle_beta   68.73
_cell_angle_gamma   65.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdCo2
_chemical_formula_sum   'Ca1 Cd1 Co2'
_cell_volume   82.93
_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  0.0  1.0
  Cd  Cd1  1  0.0  0.6  0.41  1.0
  Co  Co2  1  0.0  0.56  0.06  1.0
  Co  Co3  1  0.0  0.64  0.75  1.0

Ca Cd Co Co
CaCo2Cd crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 1-coordinate geometry to two equivalent Co(2), three equivalent Co(1), and one Cd(1) atom. There is one shorter (1.96 Å) and one longer (2.85 Å) Ca(1)-Co(2) bond length. There are a spread of Ca(1)-Co(1) bond distances ranging from 2.58-3.60 Å. The Ca(1)-Cd(1) bond length is 2.22 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Co(2), and one Cd(1) atom. The Co(1)-Co(2) bond length is 1.57 Å. The Co(1)-Cd(1) bond length is 1.98 Å. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Co(1), and one Cd(1) atom. The Co(2)-Cd(1) bond length is 1.98 Å. Cd(1) is bonded in a 3-coordinate geometry to one Ca(1), one Co(1), and one Co(2) atom.