data_TiSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi
_chemical_formula_sum   'Ti2 Si2'
_cell_volume   82.4
_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  0.19  0.27  0.24  1.0
  Ti  Ti3  1  0.0  0.53  0.71  1.0
  Si  Si0  1  0.19  0.27  0.71  1.0
  Si  Si1  1  0.0  0.53  0.24  1.0

data_TiSi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiSi
_chemical_formula_sum   'Ti2 Si2'
_cell_volume   82.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Ti0  2  0.1  0.87  0.76  1.0
  Si  Si1  2  0.1  0.87  0.24  1.0

Ti Ti Si Si
Ti Ti Si Si 0 3 o o o 1 2 o o o 
TiSi crystallizes in the triclinic P-1 space group. Ti(1) is bonded to five equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing TiSi5 trigonal bipyramids. There are a spread of Ti(1)-Si(1) bond distances ranging from 1.75-3.13 Å. Si(1) is bonded to five equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing SiTi5 trigonal bipyramids.