data_KCu2(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   8.66
_cell_angle_alpha   114.96
_cell_angle_beta   114.96
_cell_angle_gamma   66.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu2(SO5)2
_chemical_formula_sum   'K1 Cu2 S2 O10'
_cell_volume   212.95
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.13  0.54  0.73  1.0
  Cu  Cu2  1  0.13  0.46  0.73  1.0
  S  S3  1  0.86  0.0  0.77  1.0
  S  S4  1  0.04  0.0  0.7  1.0
  O  O5  1  0.17  0.0  0.1  1.0
  O  O6  1  0.73  0.0  0.36  1.0
  O  O7  1  0.94  0.0  0.22  1.0
  O  O8  1  0.96  0.0  0.24  1.0
  O  O9  1  0.07  0.75  0.37  1.0
  O  O10  1  0.07  0.25  0.37  1.0
  O  O11  1  0.83  0.25  0.09  1.0
  O  O12  1  0.83  0.75  0.09  1.0
  O  O13  1  0.67  0.0  0.48  1.0
  O  O14  1  0.24  0.0  0.99  1.0

data_KCu2(SO5)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   8.08
_cell_angle_alpha   100.54
_cell_angle_beta   103.7
_cell_angle_gamma   113.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu2(SO5)2
_chemical_formula_sum   'K1 Cu2 S2 O10'
_cell_volume   212.95
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.4  0.46  0.27  1.0
  Cu  Cu2  1  0.4  0.54  0.27  1.0
  S  S3  1  0.1  0.0  0.23  1.0
  S  S4  1  0.34  0.0  0.3  1.0
  O  O5  1  0.07  0.0  0.9  1.0
  O  O6  1  0.19  0.0  0.52  1.0
  O  O7  1  0.25  0.0  0.01  1.0
  O  O8  1  0.37  0.0  0.64  1.0
  O  O9  1  0.7  0.25  0.63  1.0
  O  O10  1  0.7  0.75  0.63  1.0
  O  O11  1  0.72  0.0  0.76  1.0
  O  O12  1  0.72  0.0  0.78  1.0
  O  O13  1  0.74  0.25  0.91  1.0
  O  O14  1  0.74  0.75  0.91  1.0

K Cu Cu S S O O O O O O O O O O
K Cu Cu S S O O O O O O O O O O 0 5 o o o 0 11 - o o 0 14 o o - 1 2 o o o 3 4 + o o 5 14 o o - 6 13 o o o 6 9 + - o 7 8 o o o 7 9 + - o 7 10 + o o 7 12 o - o 8 9 + - o 8 10 + o o 8 12 o - o 9 12 - o o 