data_[K8Cd12H40S16O84]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  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 [P2_1/c]
_cell_length_a [20.7256]
_cell_length_b [10.0804]
_cell_length_c [10.2181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2Cd3H10S4O21]
_chemical_formula_sum '[K8 Cd12 H40 S16 O84]'
_cell_volume [2111.4689]
_cell_formula_units_Z [4]
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  4  0.2502  0.5096  0.2238  1
  K  K1  4  0.3865  0.7355  0.6365  1
  Cd  Cd2  4  0.1704  0.6219  0.5825  1
  Cd  Cd3  4  0.1729  0.1740  0.2960  1
  Cd  Cd4  4  0.4356  0.1957  0.1212  1
  H  H5  4  0.0541  0.6011  0.8949  1
  H  H6  4  0.0547  0.0774  0.0233  1
  H  H7  4  0.0689  0.6593  0.0804  1
  H  H8  4  0.0742  0.2210  0.5836  1
  H  H9  4  0.0745  0.1603  0.5408  1
  H  H10  4  0.0796  0.5006  0.7109  1
  H  H11  4  0.1063  0.6899  0.2229  1
  H  H12  4  0.3399  0.5268  0.8366  1
  H  H13  4  0.3606  0.1779  0.3298  1
  H  H14  4  0.4982  0.1580  0.5052  1
  S  S15  4  0.0730  0.0277  0.8297  1
  S  S16  4  0.2534  0.6668  0.8954  1
  S  S17  4  0.2669  0.1716  0.0469  1
  S  S18  4  0.4352  0.0410  0.8038  1
  O  O19  4  0.0288  0.0087  0.7078  1
  O  O20  4  0.0306  0.0913  0.9290  1
  O  O21  4  0.0982  0.6019  0.3880  1
  O  O22  4  0.1077  0.0458  0.1565  1
  O  O23  4  0.1095  0.6959  0.1275  1
  O  O24  4  0.1292  0.1164  0.8213  1
  O  O25  4  0.1704  0.0746  0.4916  1
  O  O26  4  0.1923  0.6922  0.8045  1
  O  O27  4  0.2126  0.2404  0.1047  1
  O  O28  4  0.2472  0.7180  0.0304  1
  O  O29  4  0.2590  0.0258  0.0580  1
  O  O30  4  0.2645  0.2121  0.9067  1
  O  O31  4  0.2661  0.5195  0.9035  1
  O  O32  4  0.3098  0.7309  0.8474  1
  O  O33  4  0.3288  0.2173  0.1262  1
  O  O34  4  0.3782  0.5059  0.7917  1
  O  O35  4  0.3823  0.0126  0.6948  1
  O  O36  4  0.4000  0.1215  0.3516  1
  O  O37  4  0.4078  0.0981  0.9194  1
  O  O38  4  0.4704  0.5862  0.3452  1
  O  O39  4  0.4831  0.1399  0.7592  1
]