data_KTiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   154.28
_cell_angle_beta   128.89
_cell_angle_gamma   58.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiW2
_chemical_formula_sum   'K1 Ti1 W2'
_cell_volume   78.05
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.38  1.0
  W  W2  1  0.0  0.65  0.4  1.0
  W  W3  1  0.37  0.0  0.97  1.0

data_KTiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.3
_cell_length_c   6.15
_cell_angle_alpha   115.55
_cell_angle_beta   102.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiW2
_chemical_formula_sum   'K1 Ti1 W2'
_cell_volume   78.05
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.62  0.62  0.62  1.0
  W  W2  1  0.4  0.03  0.4  1.0
  W  W3  1  0.6  0.25  0.25  1.0

K Ti W W
KTiW2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 4-coordinate geometry to one Ti(1), one W(2), and two equivalent W(1) atoms. The K(1)-Ti(1) bond length is 2.31 Å. The K(1)-W(2) bond length is 2.37 Å. There is one shorter (1.98 Å) and one longer (2.08 Å) K(1)-W(1) bond length. Ti(1) is bonded in a 2-coordinate geometry to one K(1), one W(1), and one W(2) atom. The Ti(1)-W(1) bond length is 2.29 Å. The Ti(1)-W(2) bond length is 3.02 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Ti(1), and one W(2) atom. The W(1)-W(2) bond length is 1.91 Å. In the second W site, W(2) is bonded in a 3-coordinate geometry to one K(1), one Ti(1), and one W(1) atom.