data_Li5W4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5W4
_chemical_formula_sum   'Li10 W8'
_cell_volume   283.12
_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  0.45  0.24  0.03  1.0
  Li  Li1  1  0.9  0.0  0.03  1.0
  Li  Li2  1  0.55  0.51  0.03  1.0
  Li  Li3  1  0.45  0.51  0.34  1.0
  Li  Li4  1  0.9  0.0  0.34  1.0
  Li  Li5  1  0.55  0.24  0.34  1.0
  Li  Li6  1  0.0  0.5  0.69  1.0
  Li  Li7  1  0.9  0.25  0.0  1.0
  Li  Li8  1  0.9  0.25  0.69  1.0
  Li  Li9  1  0.0  0.5  0.0  1.0
  W  W10  1  0.0  0.0  0.69  1.0
  W  W11  1  0.0  0.0  0.0  1.0
  W  W12  1  0.11  0.93  0.03  1.0
  W  W13  1  0.57  0.0  0.03  1.0
  W  W14  1  0.21  0.83  0.03  1.0
  W  W15  1  0.79  0.83  0.34  1.0
  W  W16  1  0.23  0.0  0.34  1.0
  W  W17  1  0.89  0.93  0.34  1.0

data_Li5W4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.37
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5W4
_chemical_formula_sum   'Li10 W8'
_cell_volume   283.12
_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  0.0  0.5  1.0
  Li  Li1  1  0.0  0.9  0.25  1.0
  Li  Li2  1  0.03  0.45  0.24  1.0
  Li  Li3  1  0.03  0.55  0.51  1.0
  Li  Li4  1  0.03  0.9  0.0  1.0
  Li  Li5  1  0.34  0.45  0.51  1.0
  Li  Li6  1  0.34  0.55  0.24  1.0
  Li  Li7  1  0.34  0.9  0.0  1.0
  Li  Li8  1  0.69  0.0  0.5  1.0
  Li  Li9  1  0.69  0.9  0.25  1.0
  W  W10  1  0.0  0.0  0.0  1.0
  W  W11  1  0.03  0.11  0.93  1.0
  W  W12  1  0.03  0.21  0.83  1.0
  W  W13  1  0.03  0.57  0.0  1.0
  W  W14  1  0.34  0.23  0.0  1.0
  W  W15  1  0.34  0.79  0.83  1.0
  W  W16  1  0.34  0.89  0.93  1.0
  W  W17  1  0.69  0.0  0.0  1.0

Li Li Li Li Li Li Li Li Li Li W W W W W W W W
Li5W4 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one W(3), one W(4), and one W(7) atom. The Li(1)-Li(3) bond length is 1.84 Å. The Li(1)-Li(6) bond length is 1.86 Å. The Li(1)-W(3) bond length is 2.53 Å. The Li(1)-W(4) bond length is 2.52 Å. The Li(1)-W(7) bond length is 2.48 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Li(8), one W(1), one W(2), and one W(4) atom. The Li(2)-Li(8) bond length is 1.98 Å. The Li(2)-W(1) bond length is 2.00 Å. The Li(2)-W(2) bond length is 0.78 Å. The Li(2)-W(4) bond length is 2.57 Å. In the third Li site, Li(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(4), and one W(6) atom. The Li(3)-Li(4) bond length is 1.86 Å. The Li(3)-W(6) bond length is 2.78 Å. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to one Li(3) and one W(6) atom. The Li(4)-W(6) bond length is 2.53 Å. In the fifth Li site, Li(5) is bonded in a single-bond geometry to one W(1) and one W(8) atom. The Li(5)-W(1) bond length is 2.00 Å. The Li(5)-W(8) bond length is 0.49 Å. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one Li(1), one W(4), and one W(7) atom. The Li(6)-W(4) bond length is 2.61 Å. The Li(6)-W(7) bond length is 2.26 Å. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one Li(10), one Li(9), and one W(5) atom. The Li(7)-Li(10) bond length is 1.69 Å. The Li(7)-Li(9) bond length is 1.72 Å. The Li(7)-W(5) bond length is 2.88 Å. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one Li(10), one Li(2), one Li(9), and one W(4) atom. The Li(8)-Li(10) bond length is 1.72 Å. The Li(8)-Li(9) bond length is 1.69 Å. The Li(8)-W(4) bond length is 2.33 Å. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one Li(7), one Li(8), and one W(1) atom. The Li(9)-W(1) bond length is 2.45 Å. In the tenth Li site, Li(10) is bonded in a distorted T-shaped geometry to one Li(7), one Li(8), and one W(5) atom. The Li(10)-W(5) bond length is 2.22 Å. There are eight inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Li(9), and one W(2) atom. The W(1)-W(2) bond length is 1.69 Å. In the second W site, W(2) is bonded in a single-bond geometry to one Li(2), one W(1), and one W(3) atom. The W(2)-W(3) bond length is 1.26 Å. In the third W site, W(3) is bonded in a 4-coordinate geometry to one Li(1), one W(2), one W(5), and one W(7) atom. The W(3)-W(5) bond length is 1.38 Å. The W(3)-W(7) bond length is 1.86 Å. In the fourth W site, W(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(6), and one Li(8) atom. In the fifth W site, W(5) is bonded in a distorted water-like geometry to one Li(10), one Li(7), and one W(3) atom. In the sixth W site, W(6) is bonded in a distorted single-bond geometry to one Li(3), one Li(4), and one W(8) atom. The W(6)-W(8) bond length is 0.80 Å. In the seventh W site, W(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), and one W(3) atom. In the eighth W site, W(8) is bonded in a single-bond geometry to one Li(5) and one W(6) atom.