data_LiAlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.5
_cell_angle_alpha   103.66
_cell_angle_beta   103.66
_cell_angle_gamma   36.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlAu2
_chemical_formula_sum   'Li1 Al1 Au2'
_cell_volume   64.33
_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  0.13  0.0  0.39  1.0
  Al  Al0  1  0.77  0.0  0.86  1.0
  Au  Au1  1  1.0  0.0  0.26  1.0
  Au  Au2  1  0.53  0.0  0.02  1.0

data_LiAlAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.5
_cell_length_c   4.96
_cell_angle_alpha   103.66
_cell_angle_beta   108.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlAu2
_chemical_formula_sum   'Li1 Al1 Au2'
_cell_volume   64.33
_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  0.39  0.13  1.0
  Al  Al1  1  0.0  0.86  0.77  1.0
  Au  Au2  1  0.0  0.02  0.53  1.0
  Au  Au3  1  0.0  0.26  1.0  1.0

Li Al Au Au