data_LiLa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   40.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Sb
_chemical_formula_sum   'Li1 La2 Sb1'
_cell_volume   121.78
_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  0.2  1.0
  La  La0  1  0.0  0.0  0.76  1.0
  La  La1  1  0.26  0.0  0.17  1.0
  Sb  Sb3  1  0.26  0.0  0.78  1.0

data_LiLa2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.52
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   110.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Sb
_chemical_formula_sum   'Li1 La2 Sb1'
_cell_volume   121.78
_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  0.8  0.0  0.8  1.0
  La  La1  1  0.24  0.0  0.24  1.0
  La  La2  1  0.83  0.26  0.83  1.0
  Sb  Sb3  1  0.22  0.26  0.22  1.0

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