data_LiLaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   136.95
_cell_angle_beta   136.95
_cell_angle_gamma   62.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaSb2
_chemical_formula_sum   'Li1 La1 Sb2'
_cell_volume   108.11
_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  0.0  1.0
  La  La0  1  0.0  0.26  0.64  1.0
  Sb  Sb2  1  0.26  0.0  0.64  1.0
  Sb  Sb3  1  0.0  0.0  0.27  1.0

data_LiLaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   6.17
_cell_angle_alpha   111.52
_cell_angle_beta   111.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaSb2
_chemical_formula_sum   'Li1 La1 Sb2'
_cell_volume   108.11
_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  0.0  1.0
  La  La1  1  0.37  0.64  0.37  1.0
  Sb  Sb2  1  0.27  0.27  0.27  1.0
  Sb  Sb3  1  0.64  0.37  0.37  1.0

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