data_Ti2CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoSi
_chemical_formula_sum   'Ti2 Co1 Si1'
_cell_volume   56.19
_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  Ti2  1  0.56  0.56  0.56  1.0
  Ti  Ti3  1  0.52  0.52  0.52  1.0
  Co  Co0  1  0.04  0.04  0.04  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Ti2CoSi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   10.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ti2CoSi
_chemical_formula_sum   'Ti6 Co3 Si3'
_cell_volume   168.57
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.44  1.0
  Ti  Ti1  3  0.0  0.0  0.48  1.0
  Co  Co2  3  0.0  0.0  0.96  1.0
  Si  Si3  3  0.0  0.0  0.0  1.0

Ti Ti Co Si
(Ti)2CoSi is Halite, Rock Salt structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three silylene cobalt molecules and three Ti clusters. In each Ti cluster, there are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Ti(2) atom. The Ti(1)-Ti(2) bond length is 0.42 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ti(1) atom.