data_TiCo2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2Si
_chemical_formula_sum   'Ti1 Co2 Si1'
_cell_volume   48.09
_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  0.0  0.24  1.0
  Co  Co0  1  0.36  0.36  0.09  1.0
  Co  Co1  1  0.36  0.36  0.38  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_TiCo2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCo2Si
_chemical_formula_sum   'Ti2 Co4 Si2'
_cell_volume   96.18
_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  2  0.0  0.0  0.24  1.0
  Co  Co1  2  0.36  0.0  0.09  1.0
  Co  Co2  2  0.36  0.0  0.38  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

Ti Co Co Si
Ti Co Co Si 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 
Co2TiSi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Co2TiSi clusters. Ti(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Si(1) atom. The Ti(1)-Co(1) bond length is 1.68 Å. The Ti(1)-Co(2) bond length is 1.68 Å. The Ti(1)-Si(1) bond length is 1.55 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Si(1) atom. The Co(1)-Si(1) bond length is 1.53 Å. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Ti(1) atom. Si(1) is bonded in a 1-coordinate geometry to one Ti(1) and one Co(1) atom.