data_LiNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbWO6
_chemical_formula_sum   'Li2 Nb2 W2 O12'
_cell_volume   215.04
_cell_formula_units_Z   2
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
  Li  Li0  1  0.0  0.39  0.01  1.0
  Li  Li1  1  0.39  0.0  0.42  1.0
  Nb  Nb2  1  0.0  0.39  0.87  1.0
  Nb  Nb3  1  0.39  0.0  0.56  1.0
  W  W4  1  0.39  0.0  0.51  1.0
  W  W5  1  0.0  0.39  0.92  1.0
  O  O6  1  0.37  0.76  0.29  1.0
  O  O7  1  0.34  0.96  0.69  1.0
  O  O8  1  0.96  0.43  0.74  1.0
  O  O9  1  0.82  0.34  0.74  1.0
  O  O10  1  0.4  0.01  0.29  1.0
  O  O11  1  0.76  0.4  0.14  1.0
  O  O12  1  0.01  0.37  0.14  1.0
  O  O13  1  0.46  0.84  0.76  1.0
  O  O14  1  0.32  0.93  0.76  1.0
  O  O15  1  0.84  0.32  0.67  1.0
  O  O16  1  0.93  0.46  0.67  1.0
  O  O17  1  0.43  0.82  0.69  1.0

data_LiNbWO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbWO6
_chemical_formula_sum   'Li2 Nb2 W2 O12'
_cell_volume   215.04
_cell_formula_units_Z   2
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
  Li  Li0  1  0.0  0.39  0.01  1.0
  Li  Li1  1  0.39  0.0  0.42  1.0
  Nb  Nb2  1  0.0  0.39  0.87  1.0
  Nb  Nb3  1  0.39  0.0  0.56  1.0
  W  W4  1  0.0  0.39  0.92  1.0
  W  W5  1  0.39  0.0  0.51  1.0
  O  O6  1  0.01  0.37  0.14  1.0
  O  O7  1  0.32  0.93  0.76  1.0
  O  O8  1  0.34  0.96  0.69  1.0
  O  O9  1  0.37  0.76  0.29  1.0
  O  O10  1  0.4  0.01  0.29  1.0
  O  O11  1  0.43  0.82  0.69  1.0
  O  O12  1  0.46  0.84  0.76  1.0
  O  O13  1  0.76  0.4  0.14  1.0
  O  O14  1  0.82  0.34  0.74  1.0
  O  O15  1  0.84  0.32  0.67  1.0
  O  O16  1  0.93  0.46  0.67  1.0
  O  O17  1  0.96  0.43  0.74  1.0

Li Li Nb Nb W W O O O O O O O O O O O O
Li Li Nb Nb W W O O O O O O O O O O O O 0 5 o o - 0 12 o o o 1 4 o o o 1 10 o o o 2 5 o o o 3 4 o o o 6 10 o + o 7 14 o o o 7 17 o o o 8 9 o o o 8 16 o o o 9 15 o o o 11 12 + o o 13 17 o o o 13 14 o o o 15 16 o o o 
LiNbWO6 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two LiNbWO6 clusters. Li(1,2) is bonded in a distorted linear geometry to one W(1,2); one O(1,6); and one O(5,7) atom. The Li(1,2)-W(1,2) bond length is 0.87 Å. The Li(1,2)-O(1,6) bond length is 1.69 Å. The Li(1,2)-O(5,7) bond length is 1.24 Å. Nb(1) is bonded in a 2-coordinate geometry to one W(1,2); one O(3); and one O(4) atom. The Nb(1)-W(1,2) bond length is 0.48 Å. The Nb(1)-O(3) bond length is 1.21 Å. The Nb(1)-O(4) bond length is 1.47 Å. W(1,2) is bonded in a linear geometry to one Li(1,2) and one Nb(2) atom. The W(1,2)-Nb(2) bond length is 0.48 Å. There are six inequivalent O sites. In the first O site, O(1,6) is bonded in a 2-coordinate geometry to one Li(1,2) and one O(5,7) atom. The O(1,6)-O(5,7) bond length is 1.22 Å. In the second O site, O(3) is bonded in a distorted T-shaped geometry to one Nb(1), one O(11), and one O(4) atom. The O(3)-O(11) bond length is 0.69 Å. The O(3)-O(4) bond length is 0.77 Å. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Nb(1), one O(10), and one O(3) atom. The O(4)-O(10) bond length is 0.69 Å. In the fourth O site, O(5,7) is bonded in a single-bond geometry to one Li(1,2) and one O(1,6) atom. In the fifth O site, O(10) is bonded in a 2-coordinate geometry to one O(11) and one O(4) atom. The O(10)-O(11) bond length is 0.78 Å. In the sixth O site, O(11) is bonded in a distorted L-shaped geometry to one O(10) and one O(3) atom.