data_Li2CuHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuHg
_chemical_formula_sum   'Li2 Cu1 Hg1'
_cell_volume   62.2
_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  0.6  0.6  0.67  1.0
  Li  Li3  1  0.6  0.6  0.37  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.02  1.0

data_Li2CuHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2CuHg
_chemical_formula_sum   'Li4 Cu2 Hg2'
_cell_volume   124.4
_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  0.1  0.5  0.37  1.0
  Li  Li1  2  0.1  0.5  0.67  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.02  1.0

Li Li Cu Hg
Li Li Cu Hg 0 1 o o o 2 3 o o o 
Li2CuHg crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Li(2) and three equivalent Cu(1) atoms. The Li(1)-Li(2) bond length is 1.84 Å. There is one shorter (2.67 Å) and two longer (3.04 Å) Li(1)-Cu(1) bond lengths. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Hg(1) atoms. There is one shorter (2.76 Å) and two longer (3.13 Å) Li(2)-Hg(1) bond lengths. Cu(1) is bonded in a single-bond geometry to three equivalent Li(1) and one Hg(1) atom. The Cu(1)-Hg(1) bond length is 0.13 Å. Hg(1) is bonded in a single-bond geometry to three equivalent Li(2) and one Cu(1) atom.