data_LiNb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2W
_chemical_formula_sum   'Li1 Nb2 W1'
_cell_volume   65.88
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.58  0.61  0.61  1.0
  Nb  Nb2  1  0.58  0.39  0.61  1.0
  W  W3  1  0.17  0.0  0.0  1.0

data_LiNb2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.23
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiNb2W
_chemical_formula_sum   'Li1 Nb2 W1'
_cell_volume   65.89
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Nb  Nb1  2  0.61  0.39  0.58  1.0
  W  W2  1  0.0  0.0  0.17  1.0

Li Nb Nb W
Li Nb Nb W 0 3 o o o 1 2 o o o 
LiNb2W crystallizes in the monoclinic Pm space group. Li(1) is bonded in a single-bond geometry to four equivalent Nb(1) and one W(1) atom. There are two shorter (2.86 Å) and two longer (3.25 Å) Li(1)-Nb(1) bond lengths. The Li(1)-W(1) bond length is 0.75 Å. Nb(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Nb(1), and two equivalent W(1) atoms. The Nb(1)-Nb(1) bond length is 1.00 Å. There is one shorter (2.86 Å) and one longer (3.25 Å) Nb(1)-W(1) bond length. W(1) is bonded in a single-bond geometry to one Li(1) and four equivalent Nb(1) atoms.