data_LiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   8.35
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGe2
_chemical_formula_sum   'Li8 Ge16'
_cell_volume   411.26
_cell_formula_units_Z   8
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  Li16  1  0.82  0.82  0.98  1.0
  Li  Li17  1  0.98  0.98  0.98  1.0
  Li  Li18  1  0.82  0.98  0.82  1.0
  Li  Li19  1  0.98  0.82  0.82  1.0
  Li  Li20  1  0.93  0.93  0.77  1.0
  Li  Li21  1  0.77  0.77  0.77  1.0
  Li  Li22  1  0.93  0.77  0.93  1.0
  Li  Li23  1  0.77  0.93  0.93  1.0
  Ge  Ge0  1  0.48  0.43  0.43  1.0
  Ge  Ge1  1  0.43  0.48  0.43  1.0
  Ge  Ge2  1  0.48  0.48  0.48  1.0
  Ge  Ge3  1  0.43  0.43  0.48  1.0
  Ge  Ge4  1  0.85  0.85  0.54  1.0
  Ge  Ge5  1  0.17  0.85  0.85  1.0
  Ge  Ge6  1  0.85  0.17  0.85  1.0
  Ge  Ge7  1  0.85  0.54  0.85  1.0
  Ge  Ge8  1  0.54  0.85  0.85  1.0
  Ge  Ge9  1  0.85  0.85  0.17  1.0
  Ge  Ge10  1  0.9  0.9  0.22  1.0
  Ge  Ge11  1  0.59  0.9  0.9  1.0
  Ge  Ge12  1  0.9  0.59  0.9  1.0
  Ge  Ge13  1  0.9  0.22  0.9  1.0
  Ge  Ge14  1  0.22  0.9  0.9  1.0
  Ge  Ge15  1  0.9  0.9  0.59  1.0

data_LiGe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   20.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiGe2
_chemical_formula_sum   'Li24 Ge48'
_cell_volume   1233.78
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.05  0.11  0.12  1.0
  Li  Li1  9  0.11  0.05  0.12  1.0
  Li  Li2  3  0.0  0.0  0.02  1.0
  Li  Li3  3  0.0  0.0  0.23  1.0
  Ge  Ge4  9  0.02  0.03  0.56  1.0
  Ge  Ge5  9  0.1  0.21  0.04  1.0
  Ge  Ge6  9  0.1  0.21  0.99  1.0
  Ge  Ge7  9  0.21  0.1  0.2  1.0
  Ge  Ge8  9  0.21  0.1  0.25  1.0
  Ge  Ge9  3  0.0  0.0  0.52  1.0

Li Li Li Li Li Li Li Li Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge