data_Li2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BW
_chemical_formula_sum   'Li2 B1 W1'
_cell_volume   51.33
_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  Li1  1  0.13  0.25  0.26  1.0
  Li  Li2  1  0.13  0.75  0.26  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.26  0.0  0.0  1.0

data_Li2BW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   4.52
_cell_length_c   5.04
_cell_angle_alpha   116.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BW
_chemical_formula_sum   'Li2 B1 W1'
_cell_volume   51.33
_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  0.26  0.25  0.38  1.0
  Li  Li1  1  0.26  0.75  0.88  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.26  1.0

Li Li B W
Li Li B W 0 2 o o o 1 3 o + o 2 3 o o o 
Li2WB crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2WB cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one B(1) atom. The Li(1)-B(1) bond length is 1.21 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one W(1) atom. The Li(2)-W(1) bond length is 1.21 Å. W(1) is bonded in a 2-coordinate geometry to one Li(2) and one B(1) atom. The W(1)-B(1) bond length is 1.31 Å. B(1) is bonded in a distorted L-shaped geometry to one Li(1) and one W(1) atom.