data_CCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   152.11
_cell_angle_beta   152.11
_cell_angle_gamma   39.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CCl3
_chemical_formula_sum   'C1 Cl3'
_cell_volume   84.45
_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
  C  C0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.76  0.42  1.0
  Cl  Cl2  1  0.76  0.0  0.42  1.0
  Cl  Cl3  1  0.0  0.0  0.85  1.0

data_CCl3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   109.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CCl3
_chemical_formula_sum   'C2 Cl6'
_cell_volume   168.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  C  C0  2  0.0  0.0  0.0  1.0
  Cl  Cl1  4  0.05  0.38  0.67  1.0
  Cl  Cl2  2  0.35  0.5  0.85  1.0

C Cl Cl Cl
C Cl Cl Cl 0 3 o o - 1 2 - + o 
CCl3 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CCl3 clusters. C(1) is bonded in a single-bond geometry to one Cl(2) atom. The C(1)-Cl(2) bond length is 1.10 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Cl(1) and one Cl(2) atom. The Cl(1)-Cl(1) bond length is 1.21 Å. The Cl(1)-Cl(2) bond length is 1.73 Å. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(1) and two equivalent Cl(1) atoms.