data_KLiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiW2
_chemical_formula_sum   'K1 Li1 W2'
_cell_volume   72.91
_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  0.97  0.97  0.97  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.66  0.66  0.66  1.0
  W  W3  1  0.32  0.32  0.32  1.0

data_KLiW2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KLiW2
_chemical_formula_sum   'K3 Li3 W6'
_cell_volume   218.72
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.03  1.0
  Li  Li1  3  0.0  0.0  0.0  1.0
  W  W2  3  0.0  0.0  0.34  1.0
  W  W3  3  0.0  0.0  0.68  1.0

K Li W W
K Li W W 0 1 + + + 0 2 + o o 0 2 o + o 0 2 o o + 0 3 + + o 0 3 + o + 0 3 o + + 1 2 o - - 1 2 - o - 1 2 - - o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o + 2 3 o + o 2 3 + o o 
KLiW2 crystallizes in the trigonal R3m space group. K(1) is bonded in a single-bond geometry to one Li(1), three equivalent W(2), and four equivalent W(1) atoms. The K(1)-Li(1) bond length is 0.30 Å. All K(1)-W(2) bond lengths are 2.71 Å. There are three shorter (2.71 Å) and one longer (3.63 Å) K(1)-W(1) bond length. Li(1) is bonded in a single-bond geometry to one K(1), three equivalent W(1), and four equivalent W(2) atoms. All Li(1)-W(1) bond lengths are 2.71 Å. There are three shorter (2.71 Å) and one longer (3.63 Å) Li(1)-W(2) bond length. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 10-coordinate geometry to four equivalent K(1), three equivalent Li(1), and three equivalent W(2) atoms. All W(1)-W(2) bond lengths are 2.71 Å. In the second W site, W(2) is bonded in a 10-coordinate geometry to three equivalent K(1), four equivalent Li(1), and three equivalent W(1) atoms.