data_[K8Ti4Si12H8O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  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_12_12_1]
_cell_length_a [7.2371]
_cell_length_b [10.0501]
_cell_length_c [13.1130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [K2TiSi3(HO5)2]
_chemical_formula_sum '[K8 Ti4 Si12 H8 O40]'
_cell_volume [953.7515]
_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  0.1466  0.7885  0.6327  1
  K  K1  4  0.2066  0.9356  0.9214  1
  Ti  Ti2  4  0.2404  0.4526  0.7099  1
  Si  Si3  4  0.0088  0.8231  0.1752  1
  Si  Si4  4  0.0806  0.1417  0.6687  1
  Si  Si5  4  0.2318  0.5374  0.9517  1
  H  H6  4  0.0321  0.8453  0.3806  1
  H  H7  4  0.1673  0.7265  0.4054  1
  O  O8  4  0.0132  0.5600  0.7379  1
  O  O9  4  0.0199  0.5995  0.9405  1
  O  O10  4  0.0527  0.6659  0.1915  1
  O  O11  4  0.0709  0.3011  0.6891  1
  O  O12  4  0.0975  0.3878  0.2274  1
  O  O13  4  0.1234  0.8144  0.4321  1
  O  O14  4  0.1238  0.3378  0.4265  1
  O  O15  4  0.2023  0.9062  0.1507  1
  O  O16  4  0.2265  0.5112  0.5670  1
  O  O17  4  0.2451  0.5766  0.3636  1
]