data_LiGa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Ge
_chemical_formula_sum   'Li1 Ga2 Ge1'
_cell_volume   69.57
_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  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.43  0.06  0.47  1.0
  Ga  Ga1  1  0.43  0.94  0.47  1.0
  Ge  Ge2  1  0.87  0.0  0.0  1.0

data_LiGa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   110.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Ge
_chemical_formula_sum   'Li1 Ga2 Ge1'
_cell_volume   69.57
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.47  0.43  0.06  1.0
  Ga  Ga2  1  0.47  0.43  0.94  1.0
  Ge  Ge3  1  -0.0  0.87  0.0  1.0

Li Ga Ga Ge
Li Ga Ga Ge 0 3 - o o 1 2 o - o 