data_Ti2Co2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   138.22
_cell_angle_beta   138.22
_cell_angle_gamma   60.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Co2Cl
_chemical_formula_sum   'Ti2 Co2 Cl1'
_cell_volume   81.49
_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
  Ti  Ti3  1  0.0  0.03  0.46  1.0
  Ti  Ti4  1  0.03  0.0  0.46  1.0
  Co  Co1  1  0.0  0.0  0.1  1.0
  Co  Co2  1  0.0  0.0  0.75  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ti2Co2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   120.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2Co2Cl
_chemical_formula_sum   'Ti4 Co4 Cl2'
_cell_volume   162.98
_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
  Ti  Ti0  4  0.05  0.48  0.57  1.0
  Co  Co1  2  0.25  0.0  0.25  1.0
  Co  Co2  2  0.4  0.5  0.9  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Ti Ti Co Co Cl
Ti Ti Co Co Cl 0 1 o o o 0 3 o o o 1 3 o o o 2 4 o o o 3 4 o o + 
(Ti)2Co2Cl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two titanium molecules and two Co2Cl clusters. In each Co2Cl cluster, there are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Cl(1) atom. The Co(1)-Cl(1) bond length is 0.59 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Cl(1) atom. The Co(2)-Cl(1) bond length is 1.45 Å. Cl(1) is bonded in a linear geometry to one Co(1) and one Co(2) atom.