data_NaLiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   4.56
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   95.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiGe2
_chemical_formula_sum   'Na1 Li1 Ge2'
_cell_volume   77.77
_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  0.55  0.28  0.24  1.0
  Li  Li2  1  0.2  0.0  0.41  1.0
  Ge  Ge0  1  0.67  0.0  0.04  1.0
  Ge  Ge1  1  0.59  0.28  0.48  1.0

data_NaLiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.56
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   95.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiGe2
_chemical_formula_sum   'Na1 Li1 Ge2'
_cell_volume   77.77
_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  Na0  1  0.55  0.28  0.24  1.0
  Li  Li1  1  0.2  0.0  0.41  1.0
  Ge  Ge2  1  0.59  0.28  0.48  1.0
  Ge  Ge3  1  0.67  0.0  0.04  1.0

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