data_Li2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   5.11
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeSb
_chemical_formula_sum   'Li2 Ge1 Sb1'
_cell_volume   77.09
_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  0.35  0.55  0.17  1.0
  Li  Li2  1  0.43  0.0  0.48  1.0
  Ge  Ge0  1  0.93  0.0  0.03  1.0
  Sb  Sb3  1  0.92  0.55  0.59  1.0

data_Li2GeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.85
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeSb
_chemical_formula_sum   'Li2 Ge1 Sb1'
_cell_volume   77.09
_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  0.57  0.52  0.0  1.0
  Li  Li1  1  0.65  0.83  0.45  1.0
  Ge  Ge2  1  0.07  0.97  0.0  1.0
  Sb  Sb3  1  0.08  0.41  0.45  1.0

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