data_Li2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeSb
_chemical_formula_sum   'Li2 Ge1 Sb1'
_cell_volume   79.91
_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  0.56  0.56  0.18  1.0
  Li  Li2  1  0.0  0.0  0.87  1.0
  Ge  Ge0  1  0.0  0.0  0.63  1.0
  Sb  Sb3  1  0.56  0.56  0.82  1.0

data_Li2GeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2GeSb
_chemical_formula_sum   'Li4 Ge2 Sb2'
_cell_volume   159.81
_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  0.87  1.0
  Li  Li1  2  0.06  0.5  0.18  1.0
  Ge  Ge2  2  0.0  0.0  0.63  1.0
  Sb  Sb3  2  0.06  0.5  0.82  1.0

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