data_TiZn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2W
_chemical_formula_sum   'Ti1 Zn2 W1'
_cell_volume   60.77
_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
  Zn  Zn2  1  0.36  0.36  0.2  1.0
  Zn  Zn3  1  0.36  0.36  0.05  1.0
  W  W1  1  0.0  0.0  0.13  1.0

data_TiZn2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiZn2W
_chemical_formula_sum   'Ti2 Zn4 W2'
_cell_volume   121.53
_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  0.0  1.0
  Zn  Zn1  2  0.36  0.0  0.05  1.0
  Zn  Zn2  2  0.36  0.0  0.2  1.0
  W  W3  2  0.0  0.0  0.13  1.0

Ti Zn Zn W
TiWZn2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiWZn2 clusters. Ti(1) is bonded in a single-bond geometry to one W(1) atom. The Ti(1)-W(1) bond length is 1.05 Å. W(1) is bonded in a distorted single-bond geometry to one Ti(1), one Zn(1), and one Zn(2) atom. The W(1)-Zn(1) bond length is 1.49 Å. The W(1)-Zn(2) bond length is 1.49 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one W(1) and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.19 Å. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one W(1) and one Zn(1) atom.