data_TiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiS
_chemical_formula_sum   'Ti2 S2'
_cell_volume   65.66
_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
  Ti  Ti2  1  0.66  0.0  0.88  1.0
  Ti  Ti3  1  0.0  0.66  0.1  1.0
  S  S0  1  0.66  0.0  0.33  1.0
  S  S1  1  0.0  0.66  0.65  1.0

data_TiS
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   TiS
_chemical_formula_sum   'Ti4 S4'
_cell_volume   131.32
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.17  0.0  0.61  1.0
  S  S1  4  0.17  0.0  0.16  1.0

Ti Ti S S
Ti Ti S S 0 3 + - o 0 1 + - + 0 2 o o + 1 2 - + o 1 3 o o - 2 3 + - o 
TiS is gamma CuTi structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four TiS clusters. Ti(1) is bonded in a distorted single-bond geometry to one S(1) atom. The Ti(1)-S(1) bond length is 2.11 Å. S(1) is bonded in a distorted single-bond geometry to one Ti(1) atom.