data_LiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   7.18
_cell_angle_alpha   111.27
_cell_angle_beta   111.27
_cell_angle_gamma   36.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2
_chemical_formula_sum   'Li2 Hg4'
_cell_volume   132.46
_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  Li4  1  0.5  0.0  0.9  1.0
  Li  Li5  1  0.79  0.0  0.73  1.0
  Hg  Hg0  1  0.76  0.0  0.4  1.0
  Hg  Hg1  1  0.09  0.0  0.91  1.0
  Hg  Hg2  1  0.2  0.0  0.73  1.0
  Hg  Hg3  1  0.53  0.0  0.24  1.0

data_LiHg2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.62
_cell_length_b   5.8
_cell_length_c   7.18
_cell_angle_alpha   111.27
_cell_angle_beta   90.0
_cell_angle_gamma   108.18
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiHg2
_chemical_formula_sum   'Li2 Hg4'
_cell_volume   132.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.15  0.91  1.0
  Hg  Hg1  2  0.0  0.12  0.58  1.0
  Hg  Hg2  2  0.0  0.45  0.09  1.0

Li Li Hg Hg Hg Hg