data_[K2Na2Al12Si12H8O48]
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 [5.1303]
_cell_length_b [8.8964]
_cell_length_c [19.4181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [KNaAl6Si6(HO6)4]
_chemical_formula_sum '[K2 Na2 Al12 Si12 H8 O48]'
_cell_volume [882.8525]
_cell_formula_units_Z [2]
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  0.0984  0.5000  1
  K  K1  1  0.5000  0.6023  0.5000  1
  Na  Na2  1  0.0000  0.8898  0.0000  1
  Na  Na3  1  0.5000  0.4139  0.0000  1
  Al  Al4  2  0.2345  0.9139  0.7581  1
  Al  Al5  2  0.2398  0.5835  0.7576  1
  Al  Al6  2  0.2621  0.0850  0.2442  1
  Al  Al7  2  0.2670  0.4153  0.2440  1
  Al  Al8  2  0.4467  0.7395  0.8978  1
  Al  Al9  2  0.4724  0.2596  0.3840  1
  Si  Si10  2  0.0097  0.4286  0.6160  1
  Si  Si11  2  0.0366  0.5704  0.1022  1
  Si  Si12  2  0.0435  0.7552  0.6175  1
  Si  Si13  2  0.0692  0.2436  0.1037  1
  Si  Si14  2  0.4393  0.0707  0.8972  1
  Si  Si15  2  0.4671  0.9295  0.3835  1
  H  H16  2  0.1152  0.1475  0.6865  1
  H  H17  2  0.1414  0.8521  0.1719  1
  H  H18  2  0.3435  0.3383  0.8126  1
  H  H19  2  0.3698  0.6613  0.2975  1
  O  O20  2  0.0247  0.4459  0.7008  1
  O  O21  2  0.0338  0.0588  0.7046  1
  O  O22  2  0.0524  0.5533  0.1869  1
  O  O23  2  0.0617  0.9399  0.1913  1
  O  O24  2  0.0914  0.7506  0.7010  1
  O  O25  2  0.0948  0.5915  0.5834  1
  O  O26  2  0.1180  0.2481  0.1872  1
  O  O27  2  0.1362  0.4079  0.0710  1
  O  O28  2  0.1993  0.2962  0.5943  1
  O  O29  2  0.2191  0.7088  0.0808  1
  O  O30  2  0.2389  0.2044  0.9198  1
  O  O31  2  0.2448  0.8692  0.5828  1
  O  O32  2  0.2577  0.8032  0.4068  1
  O  O33  2  0.2592  0.5980  0.9323  1
  O  O34  2  0.2643  0.1225  0.0702  1
  O  O35  2  0.2805  0.3947  0.4194  1
  O  O36  2  0.3623  0.9147  0.9319  1
  O  O37  2  0.3689  0.7487  0.8087  1
  O  O38  2  0.3956  0.2497  0.2947  1
  O  O39  2  0.4093  0.0850  0.4204  1
  O  O40  2  0.4379  0.4322  0.8081  1
  O  O41  2  0.4441  0.0592  0.8131  1
  O  O42  2  0.4649  0.5671  0.2946  1
  O  O43  2  0.4719  0.9398  0.2994  1
]