data_LiTiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiAu2
_chemical_formula_sum   'Li1 Ti1 Au2'
_cell_volume   69.39
_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  0.56  1.0
  Ti  Ti3  1  0.94  0.0  0.07  1.0
  Au  Au0  1  0.0  0.0  0.05  1.0
  Au  Au1  1  0.94  0.0  0.42  1.0

data_LiTiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiAu2
_chemical_formula_sum   'Li1 Ti1 Au2'
_cell_volume   69.39
_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  0.56  1.0
  Ti  Ti1  1  0.94  0.0  0.07  1.0
  Au  Au2  1  0.0  0.0  0.05  1.0
  Au  Au3  1  0.94  0.0  0.42  1.0

Li Ti Au Au