data_Na4S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.48
_cell_length_c   6.35
_cell_angle_alpha   88.21
_cell_angle_beta   85.26
_cell_angle_gamma   62.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4S2O5
_chemical_formula_sum   'Na4 S2 O5'
_cell_volume   162.71
_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  0.46  0.29  0.71  1.0
  Na  Na1  1  0.08  0.83  0.12  1.0
  Na  Na2  1  0.78  0.82  0.94  1.0
  Na  Na3  1  0.71  0.45  0.55  1.0
  S  S4  1  0.53  0.15  0.71  1.0
  S  S5  1  0.95  0.61  0.94  1.0
  O  O6  1  0.48  0.07  0.9  1.0
  O  O7  1  0.13  0.62  0.4  1.0
  O  O8  1  0.12  0.85  0.9  1.0
  O  O9  1  0.92  0.09  0.5  1.0
  O  O10  1  0.39  0.12  0.73  1.0

data_Na4S2O5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   5.48
_cell_length_c   6.35
_cell_angle_alpha   88.21
_cell_angle_beta   85.26
_cell_angle_gamma   62.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4S2O5
_chemical_formula_sum   'Na4 S2 O5'
_cell_volume   162.71
_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  0.08  0.83  0.12  1.0
  Na  Na1  1  0.46  0.29  0.71  1.0
  Na  Na2  1  0.71  0.45  0.55  1.0
  Na  Na3  1  0.78  0.82  0.94  1.0
  S  S4  1  0.53  0.15  0.71  1.0
  S  S5  1  0.95  0.61  0.94  1.0
  O  O6  1  0.12  0.85  0.9  1.0
  O  O7  1  0.13  0.62  0.4  1.0
  O  O8  1  0.39  0.12  0.73  1.0
  O  O9  1  0.48  0.07  0.9  1.0
  O  O10  1  0.92  0.09  0.5  1.0

Na Na Na Na S S O O O O O
Na Na Na Na S S O O O O O 0 4 o o o 0 3 o o o 1 8 o o - 1 7 o o o 2 5 o o o 3 9 o o o 4 10 o o o 4 6 o o o 6 10 o o o 7 9 - + o 