data_[K3Cu3S6O24]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.7817]
_cell_length_b [4.7817]
_cell_length_c [24.6748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [KCu(SO4)2]
_chemical_formula_sum '[K3 Cu3 S6 O24]'
_cell_volume [488.5989]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1.0
  Cu  Cu1  3  0.0000  0.0000  0.0000  1.0
  S  S2  6  0.0000  0.0000  0.2643  1.0
  O  O3  18  0.0238  0.7165  0.7164  1.0
  O  O4  6  0.0000  0.0000  0.2048  1.0
]