data_LiHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgPb2
_chemical_formula_sum   'Li1 Hg1 Pb2'
_cell_volume   102.17
_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  Li1  1  0.0  0.0  0.41  1.0
  Hg  Hg0  1  0.39  0.0  0.89  1.0
  Pb  Pb2  1  0.39  0.0  0.34  1.0
  Pb  Pb3  1  0.0  0.0  0.3  1.0

data_LiHgPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiHgPb2
_chemical_formula_sum   'Li1 Hg1 Pb2'
_cell_volume   102.24
_cell_formula_units_Z   1
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  1  0.0  0.0  0.41  1.0
  Hg  Hg1  1  0.39  0.0  0.89  1.0
  Pb  Pb2  1  0.0  0.0  0.3  1.0
  Pb  Pb3  1  0.39  0.0  0.34  1.0

Li Hg Pb Pb
Li Hg Pb Pb 0 3 o o o 0 2 o o o 1 1 o + o 1 1 + o o 1 3 o o + 1 3 + o + 1 2 o o + 2 3 o o o 