data_CdBC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBC3
_chemical_formula_sum   'Cd1 B1 C3'
_cell_volume   48.0
_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  Cd4  1  0.82  0.82  0.82  1.0
  B  B3  1  0.0  0.0  0.0  1.0
  C  C0  1  0.0  0.82  0.0  1.0
  C  C1  1  0.0  0.0  0.82  1.0
  C  C2  1  0.82  0.0  0.0  1.0

data_CdBC3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdBC3
_chemical_formula_sum   'Cd3 B3 C9'
_cell_volume   143.99
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.82  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  C  C2  9  0.06  0.12  0.94  1.0

Cd B C C C
CdBC3 is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three CdBC3 clusters. Cd(1) is bonded in a 3-coordinate geometry to three equivalent C(1) atoms. All Cd(1)-C(1) bond lengths are 0.94 Å. B(1) is bonded in a distorted T-shaped geometry to three equivalent C(1) atoms. All B(1)-C(1) bond lengths are 0.66 Å. C(1) is bonded in a distorted L-shaped geometry to one Cd(1) and one B(1) atom.