data_LiGa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.87
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Au
_chemical_formula_sum   'Li1 Ga2 Au1'
_cell_volume   66.98
_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  0.82  1.0
  Ga  Ga1  1  0.0  0.0  0.56  1.0
  Ga  Ga2  1  0.56  0.93  0.43  1.0
  Au  Au0  1  0.56  0.93  0.09  1.0

data_LiGa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.87
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Au
_chemical_formula_sum   'Li1 Ga2 Au1'
_cell_volume   66.98
_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  0.82  1.0
  Ga  Ga1  1  0.0  0.0  0.56  1.0
  Ga  Ga2  1  0.56  0.93  0.43  1.0
  Au  Au3  1  0.56  0.93  0.09  1.0

Li Ga Ga Au