data_[K2Cu4H4S4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4045]
_cell_length_b [6.3671]
_cell_length_c [8.0908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCu2H2(SO5)2]
_chemical_formula_sum '[K2 Cu4 H4 S4 O20]'
_cell_volume [413.8819]
_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  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  4  0.2500  0.2500  0.0000  1.0
  H  H2  4  0.2004  0.5000  0.1820  1.0
  S  S3  4  0.0735  0.0000  0.2893  1.0
  O  O4  8  0.0359  0.1955  0.7662  1.0
  O  O5  4  0.1664  0.5000  0.0442  1.0
  O  O6  4  0.1677  0.0000  0.1898  1.0
  O  O7  4  0.1829  0.0000  0.4999  1.0
]