data_LiSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   14.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb5
_chemical_formula_sum   'Li1 Sb5'
_cell_volume   154.0
_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
  Sb  Sb1  1  0.61  0.61  0.85  1.0
  Sb  Sb2  1  0.61  0.61  0.97  1.0
  Sb  Sb3  1  0.0  0.0  0.99  1.0
  Sb  Sb4  1  0.0  0.0  0.83  1.0
  Sb  Sb5  1  0.61  0.61  0.41  1.0

data_LiSb5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   14.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiSb5
_chemical_formula_sum   'Li2 Sb10'
_cell_volume   308.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.83  1.0
  Sb  Sb2  2  0.0  0.0  0.99  1.0
  Sb  Sb3  2  0.11  0.5  0.41  1.0
  Sb  Sb4  2  0.11  0.5  0.85  1.0
  Sb  Sb5  2  0.11  0.5  0.97  1.0

Li Sb Sb Sb Sb Sb
Li Sb Sb Sb Sb Sb 0 3 o o - 0 2 - - - 1 4 + + o 1 2 o o o 2 3 + + o 5 5 + o o 5 5 o + o 