data_K2HS2NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.33
_cell_angle_alpha   91.05
_cell_angle_beta   91.05
_cell_angle_gamma   61.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HS2NO6
_chemical_formula_sum   'K4 H2 S4 N2 O12'
_cell_volume   353.14
_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  0.81  0.1  0.28  1.0
  K  K1  1  0.69  0.12  0.73  1.0
  K  K2  1  0.89  0.9  0.62  1.0
  K  K3  1  0.77  0.88  0.06  1.0
  H  H4  1  0.58  0.76  0.96  1.0
  H  H5  1  0.66  0.24  0.3  1.0
  S  S6  1  0.5  0.34  0.29  1.0
  S  S7  1  0.97  0.36  0.67  1.0
  S  S8  1  0.58  0.66  0.63  1.0
  S  S9  1  0.05  0.64  0.0  1.0
  N  N10  1  0.22  0.56  0.51  1.0
  N  N11  1  0.3  0.44  0.85  1.0
  O  O12  1  0.47  0.91  0.19  1.0
  O  O13  1  0.39  0.22  0.64  1.0
  O  O14  1  0.39  0.28  0.66  1.0
  O  O15  1  0.13  0.3  0.37  1.0
  O  O16  1  0.09  0.26  0.29  1.0
  O  O17  1  0.97  0.99  0.79  1.0
  O  O18  1  0.55  0.09  0.53  1.0
  O  O19  1  0.46  0.78  0.98  1.0
  O  O20  1  0.46  0.72  0.99  1.0
  O  O21  1  0.21  0.7  0.71  1.0
  O  O22  1  0.17  0.74  0.63  1.0
  O  O23  1  0.05  0.01  0.13  1.0

data_K2HS2NO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.33
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   61.57
_cell_angle_beta   88.95
_cell_angle_gamma   88.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HS2NO6
_chemical_formula_sum   'K4 H2 S4 N2 O12'
_cell_volume   353.14
_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  0.06  0.23  0.12  1.0
  K  K1  1  0.28  0.19  0.9  1.0
  K  K2  1  0.62  0.11  0.1  1.0
  K  K3  1  0.73  0.31  0.88  1.0
  H  H4  1  0.3  0.34  0.76  1.0
  H  H5  1  0.96  0.42  0.24  1.0
  S  S6  1  0.0  0.95  0.36  1.0
  S  S7  1  0.29  0.5  0.66  1.0
  S  S8  1  0.63  0.42  0.34  1.0
  S  S9  1  0.67  0.03  0.64  1.0
  N  N10  1  0.51  0.78  0.44  1.0
  N  N11  1  0.85  0.7  0.56  1.0
  O  O12  1  0.13  0.95  0.99  1.0
  O  O13  1  0.19  0.53  0.09  1.0
  O  O14  1  0.29  0.91  0.74  1.0
  O  O15  1  0.37  0.87  0.7  1.0
  O  O16  1  0.53  0.45  0.91  1.0
  O  O17  1  0.63  0.83  0.26  1.0
  O  O18  1  0.64  0.61  0.78  1.0
  O  O19  1  0.66  0.61  0.72  1.0
  O  O20  1  0.71  0.79  0.3  1.0
  O  O21  1  0.79  0.03  0.01  1.0
  O  O22  1  0.98  0.54  0.22  1.0
  O  O23  1  0.99  0.54  0.28  1.0

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