data_CdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCl
_chemical_formula_sum   'Cd2 Cl2'
_cell_volume   94.93
_cell_formula_units_Z   2
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  Cd0  1  0.62  0.62  0.62  1.0
  Cd  Cd1  1  0.43  0.43  0.43  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.81  0.81  0.81  1.0

data_CdCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdCl
_chemical_formula_sum   'Cd6 Cl6'
_cell_volume   284.8
_cell_formula_units_Z   6
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  0.38  1.0
  Cd  Cd1  3  0.0  0.0  0.57  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0
  Cl  Cl3  3  0.0  0.0  0.19  1.0

Cd Cd Cl Cl
Cd Cd Cl Cl 0 1 o o o 0 3 o o o 0 2 + + o 0 2 + o + 0 2 o + + 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 - - - 
CdCl crystallizes in the trigonal R3m space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted single-bond geometry to one Cd(2), one Cl(2), and three equivalent Cl(1) atoms. The Cd(1)-Cd(2) bond length is 2.38 Å. The Cd(1)-Cl(2) bond length is 2.38 Å. All Cd(1)-Cl(1) bond lengths are 3.01 Å. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to one Cd(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. All Cd(2)-Cl(1) bond lengths are 3.20 Å. All Cd(2)-Cl(2) bond lengths are 3.01 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 7-coordinate geometry to three equivalent Cd(1), three equivalent Cd(2), and one Cl(2) atom. The Cl(1)-Cl(2) bond length is 2.38 Å. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cd(1), three equivalent Cd(2), and one Cl(1) atom.