data_NaGeSO2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   NaGeSO2
_chemical_formula_sum   'Na1 Ge1 S1 O2'
_cell_volume   72.18
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.5  0.5  0.53  1.0
  Ge  Ge1  1  0.0  0.0  0.36  1.0
  S  S2  1  0.0  0.5  0.07  1.0
  O  O3  1  0.5  0.0  0.44  1.0
  O  O4  1  0.5  0.5  0.01  1.0

Na Ge S O O
data_NaGeSO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeSO2
_chemical_formula_sum   'Na1 Ge1 S1 O2'
_cell_volume   72.18
_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  Na1  1  0.53  0.5  0.5  1.0
  Ge  Ge0  1  0.36  0.0  0.0  1.0
  S  S2  1  0.07  0.0  0.5  1.0
  O  O3  1  0.44  0.5  0.0  1.0
  O  O4  1  0.01  0.5  0.5  1.0
