data_LiHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   134.47
_cell_angle_beta   134.47
_cell_angle_gamma   66.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2Pb
_chemical_formula_sum   'Li1 Hg2 Pb1'
_cell_volume   98.91
_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  0.0  0.0  0.87  1.0
  Hg  Hg1  1  0.0  0.25  0.44  1.0
  Pb  Pb3  1  0.25  0.0  0.44  1.0

data_LiHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.82
_cell_angle_alpha   112.76
_cell_angle_beta   112.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2Pb
_chemical_formula_sum   'Li1 Hg2 Pb1'
_cell_volume   98.91
_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  Li0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.13  0.0  0.13  1.0
  Hg  Hg2  1  0.82  0.25  0.82  1.0
  Pb  Pb3  1  0.56  0.0  0.82  1.0

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