data_TiNbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbW2
_chemical_formula_sum   'Ti1 Nb1 W2'
_cell_volume   66.26
_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  0.0  0.0  1.0
  Nb  Nb0  1  0.0  0.0  0.56  1.0
  W  W2  1  0.61  0.0  0.24  1.0
  W  W3  1  0.61  0.0  0.89  1.0

data_TiNbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbW2
_chemical_formula_sum   'Ti1 Nb1 W2'
_cell_volume   66.26
_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
  Nb  Nb1  1  0.0  0.0  0.56  1.0
  W  W2  1  0.61  0.0  0.24  1.0
  W  W3  1  0.61  0.0  0.89  1.0

Ti Nb W W
TiNbW2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 2-coordinate geometry to one W(1) and two equivalent W(2) atoms. The Ti(1)-W(1) bond length is 2.41 Å. There is one shorter (1.51 Å) and one longer (1.98 Å) Ti(1)-W(2) bond length. Nb(1) is bonded in a 8-coordinate geometry to four equivalent Nb(1), two equivalent W(1), and two equivalent W(2) atoms. All Nb(1)-Nb(1) bond lengths are 2.77 Å. There is one shorter (3.16 Å) and one longer (3.41 Å) Nb(1)-W(1) bond length. There is one shorter (3.16 Å) and one longer (3.41 Å) Nb(1)-W(2) bond length. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to one Ti(1) and two equivalent Nb(1) atoms. In the second W site, W(2) is bonded in a distorted water-like geometry to two equivalent Ti(1) and two equivalent Nb(1) atoms.