data_Li2Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ge3
_chemical_formula_sum   'Li2 Ge3'
_cell_volume   84.82
_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  Li3  1  0.15  0.24  0.79  1.0
  Li  Li4  1  0.0  0.48  0.5  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.15  0.24  0.4  1.0
  Ge  Ge2  1  0.0  0.48  0.89  1.0

data_Li2Ge3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ge3
_chemical_formula_sum   'Li2 Ge3'
_cell_volume   84.82
_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  0.48  0.5  1.0
  Li  Li1  1  0.15  0.24  0.79  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.48  0.89  1.0
  Ge  Ge4  1  0.15  0.24  0.4  1.0

Li Li Ge Ge Ge
Li Li Ge Ge Ge 0 2 o o + 0 4 o o o 1 3 o o o 