data_[K4Na4Al24Si24H16O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.2057]
_cell_length_b [18.0777]
_cell_length_c [19.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [KNaAl6Si6(HO6)4]
_chemical_formula_sum '[K4 Na4 Al24 Si24 H16 O96]'
_cell_volume [1863.2514]
_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  1  0.0000  0.8012  0.0000  1
  K  K1  1  0.5000  0.0458  0.0000  1
  K  K2  1  0.5000  0.4515  0.5000  1
  K  K3  1  0.5000  0.9523  0.5000  1
  Na  Na4  1  0.0000  0.2138  0.5000  1
  Na  Na5  1  0.0000  0.2883  0.0000  1
  Na  Na6  1  0.0000  0.7107  0.5000  1
  Na  Na7  1  0.5000  0.5599  0.0000  1
  Al  Al8  2  0.0317  0.8689  0.6111  1
  Al  Al9  2  0.0353  0.3692  0.6128  1
  Al  Al10  2  0.0386  0.1316  0.1115  1
  Al  Al11  2  0.0428  0.6275  0.1103  1
  Al  Al12  2  0.2408  0.7910  0.7487  1
  Al  Al13  2  0.2459  0.2924  0.7505  1
  Al  Al14  2  0.2470  0.9564  0.7477  1
  Al  Al15  2  0.2496  0.4567  0.7503  1
  Al  Al16  2  0.2504  0.2081  0.2486  1
  Al  Al17  2  0.2524  0.5422  0.2477  1
  Al  Al18  2  0.2537  0.7063  0.2487  1
  Al  Al19  2  0.2546  0.0432  0.2493  1
  Si  Si20  2  0.0384  0.0355  0.6118  1
  Si  Si21  2  0.0391  0.5351  0.6131  1
  Si  Si22  2  0.0423  0.4639  0.1098  1
  Si  Si23  2  0.0481  0.9650  0.1135  1
  Si  Si24  2  0.4403  0.8767  0.8858  1
  Si  Si25  2  0.4470  0.3786  0.8894  1
  Si  Si26  2  0.4496  0.6217  0.3868  1
  Si  Si27  2  0.4500  0.1223  0.3875  1
  Si  Si28  2  0.4763  0.7127  0.8888  1
  Si  Si29  2  0.4796  0.2167  0.8900  1
  Si  Si30  2  0.4840  0.2843  0.3883  1
  Si  Si31  2  0.4875  0.7835  0.3889  1
  H  H32  2  0.1322  0.6699  0.6952  1
  H  H33  2  0.1364  0.1713  0.6952  1
  H  H34  2  0.1371  0.3274  0.1896  1
  H  H35  2  0.1495  0.8298  0.1990  1
  H  H36  2  0.3709  0.5732  0.8186  1
  H  H37  2  0.3719  0.0716  0.8188  1
  H  H38  2  0.3744  0.4256  0.3164  1
  H  H39  2  0.3807  0.9280  0.3212  1
  O  O40  2  0.0359  0.0289  0.6942  1
  O  O41  2  0.0373  0.5284  0.6956  1
  O  O42  2  0.0391  0.4714  0.1924  1
  O  O43  2  0.0393  0.7158  0.7008  1
  O  O44  2  0.0432  0.9711  0.1958  1
  O  O45  2  0.0440  0.2172  0.7015  1
  O  O46  2  0.0468  0.2823  0.1995  1
  O  O47  2  0.0553  0.7834  0.2010  1
  O  O48  2  0.0878  0.9571  0.5772  1
  O  O49  2  0.0904  0.0432  0.0779  1
  O  O50  2  0.0914  0.4570  0.5784  1
  O  O51  2  0.1118  0.5408  0.0751  1
  O  O52  2  0.1190  0.8739  0.6982  1
  O  O53  2  0.1226  0.3745  0.7001  1
  O  O54  2  0.1251  0.6245  0.1980  1
  O  O55  2  0.1286  0.1254  0.1986  1
  O  O56  2  0.2238  0.8014  0.5763  1
  O  O57  2  0.2272  0.3023  0.5774  1
  O  O58  2  0.2309  0.1987  0.0761  1
  O  O59  2  0.2317  0.9306  0.9190  1
  O  O60  2  0.2376  0.6938  0.0769  1
  O  O61  2  0.2462  0.5657  0.4194  1
  O  O62  2  0.2467  0.0665  0.4203  1
  O  O63  2  0.2479  0.3996  0.0881  1
  O  O64  2  0.2495  0.4367  0.9224  1
  O  O65  2  0.2505  0.5967  0.5896  1
  O  O66  2  0.2508  0.0969  0.5886  1
  O  O67  2  0.2667  0.9061  0.0903  1
  O  O68  2  0.2841  0.6487  0.9119  1
  O  O69  2  0.2871  0.1521  0.9103  1
  O  O70  2  0.2901  0.3483  0.4089  1
  O  O71  2  0.2949  0.8481  0.4094  1
  O  O72  2  0.3879  0.8744  0.8041  1
  O  O73  2  0.3886  0.3763  0.8076  1
  O  O74  2  0.3931  0.2972  0.9220  1
  O  O75  2  0.3949  0.6234  0.3050  1
  O  O76  2  0.3961  0.1243  0.3056  1
  O  O77  2  0.4011  0.2037  0.4204  1
  O  O78  2  0.4020  0.7029  0.4204  1
  O  O79  2  0.4037  0.7951  0.9191  1
  O  O80  2  0.4507  0.0283  0.8001  1
  O  O81  2  0.4508  0.5297  0.8007  1
  O  O82  2  0.4534  0.4693  0.2986  1
  O  O83  2  0.4578  0.7221  0.8057  1
  O  O84  2  0.4583  0.9707  0.3013  1
  O  O85  2  0.4661  0.2261  0.8071  1
  O  O86  2  0.4695  0.2748  0.3053  1
  O  O87  2  0.4745  0.7736  0.3060  1
]