data_BaLiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiW2
_chemical_formula_sum   'Ba1 Li1 W2'
_cell_volume   94.85
_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
  Ba  Ba0  1  0.68  0.68  0.05  1.0
  Li  Li1  1  0.0  0.0  0.95  1.0
  W  W2  1  0.68  0.68  0.27  1.0
  W  W3  1  0.0  0.0  0.36  1.0

data_BaLiW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLiW2
_chemical_formula_sum   'Ba2 Li2 W4'
_cell_volume   189.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.18  0.5  0.05  1.0
  Li  Li1  2  0.0  0.0  0.95  1.0
  W  W2  2  0.0  0.0  0.36  1.0
  W  W3  2  0.18  0.5  0.27  1.0

Ba Li W W
LiBaW2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiBaW2 clusters. Li(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. The Li(1)-Ba(1) bond length is 1.78 Å. Ba(1) is bonded in a distorted single-bond geometry to one Li(1) and one W(1) atom. The Ba(1)-W(1) bond length is 1.79 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted single-bond geometry to one Ba(1) and one W(2) atom. The W(1)-W(2) bond length is 1.70 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one W(1) atom.