data_Li2SO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.4
_cell_length_c   5.67
_cell_angle_alpha   91.77
_cell_angle_beta   90.71
_cell_angle_gamma   90.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SO4
_chemical_formula_sum   'Li4 S2 O8'
_cell_volume   165.07
_cell_formula_units_Z   2
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
  Li  Li0  1  0.57  0.22  0.51  1.0
  Li  Li1  1  0.05  0.73  0.17  1.0
  Li  Li2  1  0.63  0.31  0.68  1.0
  Li  Li3  1  0.95  0.59  0.01  1.0
  S  S4  1  0.35  0.07  0.0  1.0
  S  S5  1  0.67  0.56  0.82  1.0
  O  O6  1  0.15  0.3  0.81  1.0
  O  O7  1  0.12  0.26  0.85  1.0
  O  O8  1  0.06  0.07  0.84  1.0
  O  O9  1  0.82  0.28  0.08  1.0
  O  O10  1  0.51  0.42  0.73  1.0
  O  O11  1  0.08  0.08  0.85  1.0
  O  O12  1  0.95  0.83  0.55  1.0
  O  O13  1  0.4  0.73  0.94  1.0

data_Li2SO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.39
_cell_length_b   5.4
_cell_length_c   5.67
_cell_angle_alpha   91.77
_cell_angle_beta   90.71
_cell_angle_gamma   90.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SO4
_chemical_formula_sum   'Li4 S2 O8'
_cell_volume   165.07
_cell_formula_units_Z   2
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
  Li  Li0  1  0.05  0.73  0.17  1.0
  Li  Li1  1  0.57  0.22  0.51  1.0
  Li  Li2  1  0.63  0.31  0.68  1.0
  Li  Li3  1  0.95  0.59  0.01  1.0
  S  S4  1  0.35  0.07  0.0  1.0
  S  S5  1  0.67  0.56  0.82  1.0
  O  O6  1  0.06  0.07  0.84  1.0
  O  O7  1  0.08  0.08  0.85  1.0
  O  O8  1  0.12  0.26  0.85  1.0
  O  O9  1  0.15  0.3  0.81  1.0
  O  O10  1  0.4  0.73  0.94  1.0
  O  O11  1  0.51  0.42  0.73  1.0
  O  O12  1  0.82  0.28  0.08  1.0
  O  O13  1  0.95  0.83  0.55  1.0

Li Li Li Li S S O O O O O O O O