data_[K16Li4H12S16O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  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 [P4_1]
_cell_length_a [7.4583]
_cell_length_b [7.4583]
_cell_length_c [31.2949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [76]
_chemical_formula_structural [K4LiH3(SO4)4]
_chemical_formula_sum '[K16 Li4 H12 S16 O64]'
_cell_volume [1740.8083]
_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  0.0142  0.5065  0.6313  1
  K  K1  4  0.0748  0.8905  0.2415  1
  K  K2  4  0.1978  0.5006  0.3956  1
  K  K3  4  0.3890  0.4025  0.2513  1
  Li  Li4  4  0.1517  0.2669  0.9409  1
  H  H5  4  0.0286  0.7760  0.8012  1
  H  H6  4  0.2138  0.7586  0.8505  1
  H  H7  4  0.2771  0.7019  0.5453  1
  S  S8  4  0.0051  0.9735  0.1266  1
  S  S9  4  0.0900  0.5567  0.7522  1
  S  S10  4  0.0996  0.5401  0.5062  1
  S  S11  4  0.3479  0.5427  0.8879  1
  O  O12  4  0.0247  0.2876  0.2751  1
  O  O13  4  0.0404  0.5139  0.2216  1
  O  O14  4  0.0492  0.8933  0.6599  1
  O  O15  4  0.0555  0.5656  0.0193  1
  O  O16  4  0.0570  0.6961  0.4788  1
  O  O17  4  0.0808  0.9024  0.8410  1
  O  O18  4  0.1220  0.8492  0.3586  1
  O  O19  4  0.1364  0.8451  0.1451  1
  O  O20  4  0.1403  0.4250  0.7847  1
  O  O21  4  0.1724  0.4906  0.9061  1
  O  O22  4  0.1733  0.6170  0.5499  1
  O  O23  4  0.2418  0.4303  0.4868  1
  O  O24  4  0.2456  0.6425  0.7316  1
  O  O25  4  0.3129  0.6605  0.8469  1
  O  O26  4  0.3433  0.4507  0.1674  1
  O  O27  4  0.3900  0.5475  0.6224  1
]