data_Li2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.14
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HgAu
_chemical_formula_sum   'Li2 Hg1 Au1'
_cell_volume   71.13
_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  0.69  1.0
  Li  Li3  1  0.49  0.07  0.6  1.0
  Hg  Hg1  1  0.49  0.07  0.48  1.0
  Au  Au0  1  0.0  0.0  0.62  1.0

data_Li2HgAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.14
_cell_length_b   2.99
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Li2HgAu
_chemical_formula_sum   'Li2 Hg1 Au1'
_cell_volume   71.13
_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  0.69  1.0
  Li  Li1  1  0.07  0.5  0.6  1.0
  Hg  Hg2  1  0.07  0.5  0.48  1.0
  Au  Au3  1  0.0  0.0  0.62  1.0

Li Li Hg Au