data_LiHgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.02
_cell_angle_alpha   101.49
_cell_angle_beta   101.49
_cell_angle_gamma   34.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgAu2
_chemical_formula_sum   'Li1 Hg1 Au2'
_cell_volume   73.01
_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
  Hg  Hg2  1  0.36  0.0  0.45  1.0
  Au  Au0  1  0.78  0.0  0.76  1.0
  Au  Au1  1  0.94  0.0  0.14  1.0

data_LiHgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.02
_cell_length_c   5.11
_cell_angle_alpha   101.49
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgAu2
_chemical_formula_sum   'Li1 Hg1 Au2'
_cell_volume   73.01
_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  0.0  0.45  0.36  1.0
  Au  Au2  1  0.0  0.14  0.94  1.0
  Au  Au3  1  0.0  0.76  0.78  1.0

Li Hg Au Au