data_NaGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.39
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGe3
_chemical_formula_sum   'Na1 Ge3'
_cell_volume   80.91
_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  0.0  1.0
  Ge  Ge0  1  0.55  0.2  0.32  1.0
  Ge  Ge1  1  0.0  0.0  0.98  1.0
  Ge  Ge2  1  0.55  0.2  0.64  1.0

data_NaGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.39
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGe3
_chemical_formula_sum   'Na1 Ge3'
_cell_volume   80.91
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.98  1.0
  Ge  Ge2  1  0.55  0.2  0.32  1.0
  Ge  Ge3  1  0.55  0.2  0.64  1.0

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