data_Li2LaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.22
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaSb
_chemical_formula_sum   'Li2 La1 Sb1'
_cell_volume   105.44
_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  0.0  0.0  0.48  1.0
  Li  Li2  1  0.71  0.11  0.89  1.0
  La  La0  1  0.71  0.11  0.25  1.0
  Sb  Sb3  1  0.0  0.0  0.35  1.0

data_Li2LaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.22
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaSb
_chemical_formula_sum   'Li2 La1 Sb1'
_cell_volume   105.44
_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  0.48  1.0
  Li  Li1  1  0.71  0.11  0.89  1.0
  La  La2  1  0.71  0.11  0.25  1.0
  Sb  Sb3  1  0.0  0.0  0.35  1.0

Li Li La Sb
Li Li La Sb 0 3 o o o 0 1 - o o 1 2 o o + 2 3 + o o 