data_TiW5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiW5
_chemical_formula_sum   'Ti1 W5'
_cell_volume   102.91
_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  Ti0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.65  0.65  0.79  1.0
  W  W2  1  0.58  0.58  0.58  1.0
  W  W3  1  0.79  0.65  0.65  1.0
  W  W4  1  0.79  0.79  0.79  1.0
  W  W5  1  0.65  0.79  0.65  1.0

data_TiW5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   12.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TiW5
_chemical_formula_sum   'Ti3 W15'
_cell_volume   308.73
_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  0.0  1.0
  W  W1  9  0.05  0.09  0.3  1.0
  W  W2  3  0.0  0.0  0.21  1.0
  W  W3  3  0.0  0.0  0.42  1.0

Ti W W W W W
TiW5 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three TiW5 clusters. Ti(1) is bonded in a 1-coordinate geometry to one W(3) atom. The Ti(1)-W(3) bond length is 2.70 Å. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to one W(2), one W(3), and two equivalent W(1) atoms. The W(1)-W(2) bond length is 1.56 Å. The W(1)-W(3) bond length is 1.29 Å. Both W(1)-W(1) bond lengths are 0.74 Å. In the second W site, W(2) is bonded in a 3-coordinate geometry to three equivalent W(1) atoms. In the third W site, W(3) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent W(1) atoms.