data_Ti2BiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   142.15
_cell_angle_beta   142.15
_cell_angle_gamma   54.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiW2
_chemical_formula_sum   'Ti2 Bi1 W2'
_cell_volume   101.48
_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  Ti1  1  0.0  0.1  0.88  1.0
  Ti  Ti2  1  0.1  0.0  0.88  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.98  1.0
  W  W4  1  0.0  0.0  0.53  1.0

data_Ti2BiW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   117.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2BiW2
_chemical_formula_sum   'Ti4 Bi2 W4'
_cell_volume   202.97
_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  4  0.05  0.05  0.22  1.0
  Bi  Bi1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.02  1.0
  W  W3  2  0.0  0.0  0.47  1.0

Ti Ti Bi W W
Ti2W2Bi crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a 3-coordinate geometry to one Ti(1), one W(1), and two equivalent W(2) atoms. The Ti(1)-Ti(1) bond length is 0.59 Å. The Ti(1)-W(1) bond length is 1.25 Å. There is one shorter (1.80 Å) and one longer (3.60 Å) Ti(1)-W(2) bond length. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Bi(1) atom. The W(1)-Bi(1) bond length is 0.13 Å. In the second W site, W(2) is bonded in a 5-coordinate geometry to four equivalent Ti(1) and one Bi(1) atom. The W(2)-Bi(1) bond length is 3.40 Å. Bi(1) is bonded in a single-bond geometry to one W(1) and one W(2) atom.