data_Cd2NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiBi
_chemical_formula_sum   'Cd2 Ni1 Bi1'
_cell_volume   87.14
_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
  Cd  Cd1  1  0.2  0.0  0.18  1.0
  Cd  Cd2  1  0.2  0.0  0.58  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.38  1.0

data_Cd2NiBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2NiBi
_chemical_formula_sum   'Cd2 Ni1 Bi1'
_cell_volume   87.17
_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
  Cd  Cd0  1  0.2  0.0  0.18  1.0
  Cd  Cd1  1  0.2  0.0  0.58  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.0  0.38  1.0

Cd Cd Ni Bi
Cd Cd Ni Bi 0 2 o o o 0 3 o o o 1 3 o o o 
NiCd2Bi crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one NiCd2Bi cluster. Ni(1) is bonded in a single-bond geometry to one Cd(1) atom. The Ni(1)-Cd(1) bond length is 1.70 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one Bi(1) atom. The Cd(1)-Bi(1) bond length is 1.85 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Bi(1) atom. The Cd(2)-Bi(1) bond length is 1.85 Å. Bi(1) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one Cd(2) atom.