data_NaLiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiGe2
_chemical_formula_sum   'Na1 Li1 Ge2'
_cell_volume   76.36
_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
  Na  Na3  1  0.0  0.0  0.44  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.67  0.67  0.53  1.0
  Ge  Ge1  1  0.67  0.67  0.35  1.0

data_NaLiGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLiGe2
_chemical_formula_sum   'Na2 Li2 Ge4'
_cell_volume   152.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.44  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  2  0.17  0.5  0.35  1.0
  Ge  Ge3  2  0.17  0.5  0.53  1.0

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