data_LiPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75
_cell_length_b   9.75
_cell_length_c   9.75
_cell_angle_alpha   16.27
_cell_angle_beta   16.27
_cell_angle_gamma   16.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPdW2
_chemical_formula_sum   'Li1 Pd1 W2'
_cell_volume   63.49
_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
  Pd  Pd1  1  0.0  0.0  0.43  1.0
  W  W2  1  0.0  0.0  0.13  1.0
  W  W3  1  0.0  0.0  0.74  1.0

data_LiPdW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   2.76
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   99.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiPdW2
_chemical_formula_sum   'Li2 Pd2 W4'
_cell_volume   126.98
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  0.0  0.0  0.57  1.0
  W  W2  2  0.0  0.0  0.26  1.0
  W  W3  2  0.0  0.0  0.87  1.0

Li Pd W W
Li Pd W W 0 2 o o o 0 3 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
LiW2Pd crystallizes in the monoclinic Cm space group. Li(1) is bonded in a single-bond geometry to one W(1) and one W(2) atom. The Li(1)-W(1) bond length is 1.23 Å. The Li(1)-W(2) bond length is 2.51 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to one Li(1) and one Pd(1) atom. The W(1)-Pd(1) bond length is 3.01 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Li(1) and one Pd(1) atom. The W(2)-Pd(1) bond length is 3.01 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one W(1); one W(2); and six Pd(1,1) atoms to form a mixture of corner and edge-sharing PdPd6W2 hexagonal bipyramids. All Pd(1)-Pd(1,1) bond lengths are 2.76 Å. In the second Pd site, Pd(1) is bonded to one W(1); one W(2); and six Pd(1,1) atoms to form a mixture of corner and edge-sharing PdPd6W2 hexagonal bipyramids. The Pd(1)-W(1) bond length is 3.01 Å. The Pd(1)-W(2) bond length is 3.01 Å. Both Pd(1)-Pd(1) bond lengths are 2.76 Å.