data_Li2AlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.39
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   102.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlZn
_chemical_formula_sum   'Li2 Al1 Zn1'
_cell_volume   62.66
_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  Li1  1  0.14  0.19  0.31  1.0
  Li  Li2  1  0.43  0.19  0.92  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.42  0.0  0.61  1.0

data_Li2AlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.39
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   102.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlZn
_chemical_formula_sum   'Li2 Al1 Zn1'
_cell_volume   62.66
_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  0.14  0.19  0.31  1.0
  Li  Li1  1  0.43  0.19  0.92  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.42  0.0  0.61  1.0

Li Li Al Zn
Li Li Al Zn 0 2 o o o 0 3 o o o 1 3 o o o 1 2 o o + 1 2 + o + 