data_Ti2TlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlW
_chemical_formula_sum   'Ti2 Tl1 W1'
_cell_volume   72.52
_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  0.69  0.69  0.26  1.0
  Ti  Ti1  1  0.0  0.0  0.41  1.0
  Tl  Tl2  1  0.69  0.69  0.16  1.0
  W  W3  1  0.0  0.0  0.01  1.0

data_Ti2TlW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2TlW
_chemical_formula_sum   'Ti4 Tl2 W2'
_cell_volume   145.03
_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  0.41  1.0
  Ti  Ti1  2  0.19  0.5  0.26  1.0
  Tl  Tl2  2  0.19  0.5  0.16  1.0
  W  W3  2  0.0  0.0  0.01  1.0

Ti Ti Tl W
Ti2WTl crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to three equivalent Ti(2) and one Tl(1) atom. There is one shorter (1.76 Å) and two longer (2.73 Å) Ti(1)-Ti(2) bond lengths. The Ti(1)-Tl(1) bond length is 0.63 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to three equivalent Ti(1) and two equivalent W(1) atoms. There is one shorter (2.56 Å) and one longer (3.78 Å) Ti(2)-W(1) bond length. W(1) is bonded in a distorted single-bond geometry to two equivalent Ti(2) and one Tl(1) atom. The W(1)-Tl(1) bond length is 1.77 Å. Tl(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one W(1) atom.