data_Li2GeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeCl
_chemical_formula_sum   'Li2 Ge1 Cl1'
_cell_volume   70.21
_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  Li2  1  0.45  0.06  0.56  1.0
  Li  Li3  1  0.45  0.94  0.56  1.0
  Ge  Ge1  1  0.9  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Li2GeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   106.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeCl
_chemical_formula_sum   'Li2 Ge1 Cl1'
_cell_volume   70.21
_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  0.56  0.45  0.06  1.0
  Li  Li1  1  0.56  0.45  0.94  1.0
  Ge  Ge2  1  0.0  0.9  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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