data_[K4Al12Si12H8O48]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.2374]
_cell_length_b [9.0890]
_cell_length_c [20.7036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [KAl3Si3(HO6)2]
_chemical_formula_sum '[K4 Al12 Si12 H8 O48]'
_cell_volume [981.2629]
_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  2  0.0000  0.4070  0.7500  1
  K  K1  2  0.5000  0.1128  0.2500  1
  Al  Al2  4  0.0395  0.2621  0.3672  1
  Al  Al3  4  0.2474  0.4157  0.4993  1
  Al  Al4  4  0.2514  0.0860  0.4988  1
  Si  Si5  4  0.0415  0.0677  0.8673  1
  Si  Si6  4  0.4464  0.2411  0.6317  1
  Si  Si7  4  0.4797  0.4330  0.1334  1
  H  H8  4  0.1350  0.3443  0.9455  1
  H  H9  4  0.3781  0.1428  0.0671  1
  O  O10  4  0.0374  0.0552  0.9465  1
  O  O11  4  0.0443  0.4358  0.9519  1
  O  O12  4  0.0837  0.0875  0.3324  1
  O  O13  4  0.1248  0.2507  0.4511  1
  O  O14  4  0.2380  0.1351  0.6639  1
  O  O15  4  0.2386  0.3893  0.3330  1
  O  O16  4  0.2601  0.1857  0.8461  1
  O  O17  4  0.2798  0.3097  0.1539  1
  O  O18  4  0.3906  0.2480  0.5532  1
  O  O19  4  0.4128  0.4036  0.6642  1
  O  O20  4  0.4559  0.0569  0.0489  1
  O  O21  4  0.4675  0.4512  0.0536  1
]