data_CaCd2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   4.53
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Ni
_chemical_formula_sum   'Ca1 Cd2 Ni1'
_cell_volume   87.79
_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  0.75  0.26  0.61  1.0
  Cd  Cd2  1  0.99  0.26  0.02  1.0
  Ni  Ni3  1  0.87  0.0  0.81  1.0

data_CaCd2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.53
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Ni
_chemical_formula_sum   'Ca1 Cd2 Ni1'
_cell_volume   87.79
_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  0.75  0.26  0.61  1.0
  Cd  Cd2  1  0.99  0.26  0.02  1.0
  Ni  Ni3  1  0.87  0.0  0.81  1.0

Ca Cd Cd Ni
CaNiCd2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaNiCd2 cluster. Ca(1) is bonded in an L-shaped geometry to one Ni(1) and one Cd(2) atom. The Ca(1)-Ni(1) bond length is 1.06 Å. The Ca(1)-Cd(2) bond length is 1.20 Å. Ni(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Cd(1) atom. The Ni(1)-Cd(1) bond length is 1.66 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Ca(1) atom.