data_Li2AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   3.84
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlCu
_chemical_formula_sum   'Li2 Al1 Cu1'
_cell_volume   57.94
_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  0.6  1.0
  Li  Li3  1  0.33  0.92  0.41  1.0
  Al  Al0  1  0.0  0.0  0.99  1.0
  Cu  Cu1  1  0.33  0.92  0.15  1.0

data_Li2AlCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.84
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlCu
_chemical_formula_sum   'Li2 Al1 Cu1'
_cell_volume   57.94
_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  0.6  1.0
  Li  Li1  1  0.33  0.92  0.41  1.0
  Al  Al2  1  0.0  0.0  0.99  1.0
  Cu  Cu3  1  0.33  0.92  0.15  1.0

Li Li Al Cu
Li Li Al Cu 0 1 o - o 1 3 o o o 2 3 o - + 