data_[K1Au1S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3775]
_cell_length_b [5.3288]
_cell_length_c [9.0532]
_cell_angle_alpha [73.1576]
_cell_angle_beta [84.6825]
_cell_angle_gamma [69.8290]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KAu(SO4)2]
_chemical_formula_sum '[K1 Au1 S2 O8]'
_cell_volume [189.7220]
_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  0.0000  0.5000  0.0000  1.0
  Au  Au1  1  0.0000  0.5000  0.5000  1.0
  S  S2  2  0.4145  0.8260  0.2620  1.0
  O  O3  2  0.1873  0.8111  0.4032  1.0
  O  O4  2  0.2633  0.4241  0.6923  1.0
  O  O5  2  0.2962  0.7782  0.1313  1.0
  O  O6  2  0.4615  0.0918  0.2358  1.0
]