data_[K12Al8Si16O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5374]
_cell_length_b [10.1698]
_cell_length_c [15.4878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3Al2Si4O13]
_chemical_formula_sum '[K12 Al8 Si16 O52]'
_cell_volume [1344.6873]
_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  0.2466  0.5522  0.5521  1
  K  K1  4  0.2487  0.5469  0.8269  1
  K  K2  4  0.2547  0.5583  0.1022  1
  Al  Al3  4  0.0669  0.6122  0.3419  1
  Al  Al4  4  0.4439  0.1905  0.8159  1
  Si  Si5  4  0.0555  0.1941  0.8117  1
  Si  Si6  4  0.0626  0.2114  0.5065  1
  Si  Si7  4  0.4353  0.2099  0.5109  1
  Si  Si8  4  0.4396  0.6175  0.3371  1
  O  O9  4  0.0014  0.5408  0.6929  1
  O  O10  4  0.0014  0.7459  0.0919  1
  O  O11  4  0.0354  0.5878  0.9533  1
  O  O12  4  0.0378  0.1573  0.0645  1
  O  O13  4  0.0496  0.7246  0.2579  1
  O  O14  4  0.2426  0.2142  0.8004  1
  O  O15  4  0.2490  0.1740  0.5003  1
  O  O16  4  0.2634  0.6012  0.3749  1
  O  O17  4  0.4455  0.7248  0.2599  1
  O  O18  4  0.4488  0.1661  0.0798  1
  O  O19  4  0.4725  0.5834  0.9479  1
  O  O20  4  0.4906  0.5258  0.6929  1
  O  O21  4  0.4946  0.7426  0.5816  1
]