data_K3H(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   9.95
_cell_angle_alpha   101.98
_cell_angle_beta   101.98
_cell_angle_gamma   42.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3H(SO4)2
_chemical_formula_sum   'K6 H2 S4 O16'
_cell_volume   420.53
_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
  K  K0  1  0.95  0.57  0.42  1.0
  K  K1  1  0.85  0.43  0.27  1.0
  K  K2  1  0.06  0.33  0.48  1.0
  K  K3  1  0.85  0.33  0.37  1.0
  K  K4  1  0.74  0.67  0.22  1.0
  K  K5  1  0.95  0.67  0.33  1.0
  H  H6  1  0.89  0.0  0.85  1.0
  H  H7  1  0.0  0.0  0.0  1.0
  S  S8  1  0.58  0.4  0.21  1.0
  S  S9  1  0.11  0.4  0.34  1.0
  S  S10  1  0.22  0.6  0.49  1.0
  S  S11  1  0.68  0.6  0.36  1.0
  O  O12  1  0.37  0.13  0.79  1.0
  O  O13  1  0.32  0.13  0.76  1.0
  O  O14  1  0.42  0.87  0.91  1.0
  O  O15  1  0.48  0.87  0.94  1.0
  O  O16  1  0.25  0.66  0.9  1.0
  O  O17  1  0.44  0.66  0.65  1.0
  O  O18  1  0.55  0.34  0.8  1.0
  O  O19  1  0.36  0.34  0.05  1.0
  O  O20  1  0.21  0.85  0.56  1.0
  O  O21  1  0.7  0.85  0.28  1.0
  O  O22  1  0.59  0.15  0.13  1.0
  O  O23  1  0.1  0.15  0.41  1.0
  O  O24  1  0.25  0.5  0.59  1.0
  O  O25  1  0.44  0.5  0.96  1.0
  O  O26  1  0.54  0.5  0.11  1.0
  O  O27  1  0.36  0.5  0.74  1.0

data_K3H(SO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.78
_cell_length_b   8.04
_cell_length_c   9.95
_cell_angle_alpha   101.98
_cell_angle_beta   90.0
_cell_angle_gamma   111.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3H(SO4)2
_chemical_formula_sum   'K6 H2 S4 O16'
_cell_volume   420.53
_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
  K  K0  1  0.33  0.37  0.67  1.0
  K  K1  1  0.33  0.59  0.78  1.0
  K  K2  1  0.43  0.48  0.58  1.0
  K  K3  1  0.57  0.73  0.73  1.0
  K  K4  1  0.67  0.62  0.52  1.0
  K  K5  1  0.67  0.83  0.63  1.0
  H  H6  1  0.0  0.0  0.0  1.0
  H  H7  1  0.0  0.11  0.15  1.0
  S  S8  1  0.4  0.18  0.51  1.0
  S  S9  1  0.4  0.72  0.64  1.0
  S  S10  1  0.6  0.02  0.79  1.0
  S  S11  1  0.6  0.48  0.66  1.0
  O  O12  1  0.13  0.65  0.06  1.0
  O  O13  1  0.13  0.7  0.09  1.0
  O  O14  1  0.15  0.45  0.72  1.0
  O  O15  1  0.15  0.94  0.44  1.0
  O  O16  1  0.34  0.09  0.1  1.0
  O  O17  1  0.34  0.9  0.35  1.0
  O  O18  1  0.5  0.06  0.04  1.0
  O  O19  1  0.5  0.24  0.41  1.0
  O  O20  1  0.5  0.14  0.26  1.0
  O  O21  1  0.5  0.96  0.89  1.0
  O  O22  1  0.66  0.12  0.2  1.0
  O  O23  1  0.66  0.3  0.95  1.0
  O  O24  1  0.85  0.26  0.87  1.0
  O  O25  1  0.85  0.75  0.59  1.0
  O  O26  1  0.87  0.5  0.21  1.0
  O  O27  1  0.87  0.55  0.24  1.0

K K K K K K H H S S S S O O O O O O O O O O O O O O O O