data_LiCr2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   140.03
_cell_angle_beta   140.03
_cell_angle_gamma   57.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Hg
_chemical_formula_sum   'Li1 Cr2 Hg1'
_cell_volume   54.48
_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  Li3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.75  0.0  0.24  1.0
  Cr  Cr1  1  0.0  0.75  0.24  1.0
  Hg  Hg2  1  0.0  0.0  0.47  1.0

data_LiCr2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   118.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCr2Hg
_chemical_formula_sum   'Li2 Cr4 Hg2'
_cell_volume   108.96
_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
  Cr  Cr1  4  0.37  0.37  0.51  1.0
  Hg  Hg2  2  0.0  0.0  0.53  1.0

Li Cr Cr Hg
LiCr2Hg crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 6-coordinate geometry to four equivalent Cr(1) and two equivalent Hg(1) atoms. There are two shorter (2.35 Å) and two longer (2.99 Å) Li(1)-Cr(1) bond lengths. There is one shorter (2.40 Å) and one longer (2.70 Å) Li(1)-Hg(1) bond length. Cr(1) is bonded in a single-bond geometry to two equivalent Li(1) and one Hg(1) atom. The Cr(1)-Hg(1) bond length is 0.86 Å. Hg(1) is bonded in an L-shaped geometry to two equivalent Li(1) and two equivalent Cr(1) atoms.