data_Na2SO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.4
_cell_length_b   6.97
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SO4
_chemical_formula_sum   'Na8 S4 O16'
_cell_volume   340.86
_cell_formula_units_Z   4
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  0.7  0.0  0.6  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.04  0.22  0.07  1.0
  Na  Na3  1  0.34  0.22  0.53  1.0
  Na  Na4  1  0.7  0.48  0.6  1.0
  Na  Na5  1  0.0  0.48  0.0  1.0
  Na  Na6  1  0.06  0.74  0.67  1.0
  Na  Na7  1  0.36  0.74  0.14  1.0
  S  S24  1  0.72  0.22  0.66  1.0
  S  S25  1  0.02  0.22  0.15  1.0
  S  S26  1  0.38  0.74  0.06  1.0
  S  S27  1  0.68  0.74  0.55  1.0
  O  O8  1  0.25  0.44  0.32  1.0
  O  O9  1  0.56  0.44  0.49  1.0
  O  O10  1  0.22  0.22  0.79  1.0
  O  O11  1  0.12  0.22  0.22  1.0
  O  O12  1  0.53  0.22  0.02  1.0
  O  O13  1  0.42  0.22  0.38  1.0
  O  O14  1  0.25  0.01  0.32  1.0
  O  O15  1  0.56  0.01  0.49  1.0
  O  O16  1  0.84  0.95  0.72  1.0
  O  O17  1  0.14  0.95  0.88  1.0
  O  O18  1  0.98  0.74  0.82  1.0
  O  O19  1  0.87  0.74  0.18  1.0
  O  O20  1  0.28  0.74  0.99  1.0
  O  O21  1  0.17  0.74  0.42  1.0
  O  O22  1  0.84  0.53  0.72  1.0
  O  O23  1  0.14  0.53  0.88  1.0

data_Na2SO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   6.97
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SO4
_chemical_formula_sum   'Na8 S4 O16'
_cell_volume   340.86
_cell_formula_units_Z   4
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
  Na  Na1  1  0.0  0.52  0.0  1.0
  Na  Na2  1  0.33  0.26  0.94  1.0
  Na  Na3  1  0.4  0.0  0.3  1.0
  Na  Na4  1  0.4  0.52  0.3  1.0
  Na  Na5  1  0.47  0.78  0.66  1.0
  Na  Na6  1  0.86  0.26  0.64  1.0
  Na  Na7  1  0.93  0.78  0.96  1.0
  S  S8  1  0.34  0.78  0.28  1.0
  S  S9  1  0.45  0.26  0.32  1.0
  S  S10  1  0.85  0.78  0.98  1.0
  S  S11  1  0.94  0.26  0.62  1.0
  O  O12  1  0.01  0.26  0.72  1.0
  O  O13  1  0.12  0.05  0.86  1.0
  O  O14  1  0.12  0.47  0.86  1.0
  O  O15  1  0.18  0.26  0.02  1.0
  O  O16  1  0.21  0.78  0.78  1.0
  O  O17  1  0.28  0.05  0.16  1.0
  O  O18  1  0.28  0.47  0.16  1.0
  O  O19  1  0.51  0.56  0.44  1.0
  O  O20  1  0.51  0.99  0.44  1.0
  O  O21  1  0.58  0.26  0.83  1.0
  O  O22  1  0.62  0.78  0.58  1.0
  O  O23  1  0.68  0.56  0.75  1.0
  O  O24  1  0.68  0.99  0.75  1.0
  O  O25  1  0.78  0.78  0.88  1.0
  O  O26  1  0.82  0.26  0.13  1.0
  O  O27  1  0.98  0.78  0.47  1.0

Na Na Na Na Na Na Na Na S S S S O O O O O O O O O O O O O O O O