data_LiHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2W
_chemical_formula_sum   'Li1 Hg2 W1'
_cell_volume   72.07
_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  Li2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.43  0.43  0.68  1.0
  Hg  Hg1  1  0.43  0.43  0.1  1.0
  W  W3  1  0.0  0.0  0.39  1.0

data_LiHg2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHg2W
_chemical_formula_sum   'Li2 Hg4 W2'
_cell_volume   144.14
_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
  Hg  Hg1  2  0.43  0.0  0.1  1.0
  Hg  Hg2  2  0.43  0.0  0.68  1.0
  W  W3  2  0.0  0.0  0.39  1.0

Li Hg Hg W
LiWHg2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 4-coordinate geometry to one W(1), one Hg(1), and four equivalent Hg(2) atoms. The Li(1)-W(1) bond length is 3.42 Å. The Li(1)-Hg(1) bond length is 3.32 Å. There are a spread of Li(1)-Hg(2) bond distances ranging from 1.96-2.46 Å. W(1) is bonded in a 13-coordinate geometry to one Li(1), four equivalent W(1), four equivalent Hg(1), and four equivalent Hg(2) atoms. All W(1)-W(1) bond lengths are 2.87 Å. There are a spread of W(1)-Hg(1) bond distances ranging from 3.09-3.43 Å. There are a spread of W(1)-Hg(2) bond distances ranging from 3.09-3.43 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent W(1), and four equivalent Hg(1) atoms. All Hg(1)-Hg(1) bond lengths are 2.87 Å. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to four equivalent Li(1) and four equivalent W(1) atoms.