data_Li2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   105.19
_cell_angle_beta   105.19
_cell_angle_gamma   118.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ge
_chemical_formula_sum   'Li4 Ge2'
_cell_volume   108.4
_cell_formula_units_Z   2
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  0.14  0.04  0.0  1.0
  Li  Li3  1  0.04  0.14  0.68  1.0
  Li  Li4  1  0.32  0.14  0.0  1.0
  Li  Li5  1  0.86  0.04  0.68  1.0
  Ge  Ge0  1  0.0  0.0  0.02  1.0
  Ge  Ge1  1  0.0  0.0  0.34  1.0

data_Li2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   105.19
_cell_angle_beta   105.19
_cell_angle_gamma   118.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ge
_chemical_formula_sum   'Li4 Ge2'
_cell_volume   108.4
_cell_formula_units_Z   2
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  0.64  0.54  0.68  1.0
  Li  Li1  1  0.68  0.86  0.0  1.0
  Li  Li2  1  0.82  0.64  0.68  1.0
  Li  Li3  1  0.86  0.96  0.0  1.0
  Ge  Ge4  1  0.02  0.02  0.02  1.0
  Ge  Ge5  1  0.34  0.34  0.34  1.0

Li Li Li Li Ge Ge