data_[K16Ti8H8O20F32]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.3671]
_cell_length_b [6.6097]
_cell_length_c [12.5959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K4Ti2H2O5F8]
_chemical_formula_sum '[K16 Ti8 H8 O20 F32]'
_cell_volume [1268.1213]
_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  8  0.0698  0.2450  0.6356  1
  K  K1  8  0.1830  0.2267  0.3288  1
  Ti  Ti2  8  0.1700  0.1707  0.0319  1
  H  H3  8  0.0265  0.4307  0.3201  1
  O  O4  8  0.0792  0.1560  0.0762  1
  O  O5  8  0.1060  0.3653  0.0722  1
  O  O6  4  0.0000  0.3421  0.2500  1
  F  F7  8  0.0934  0.1881  0.8618  1
  F  F8  8  0.1571  0.1248  0.5220  1
  F  F9  8  0.2310  0.4230  0.0147  1
  F  F10  8  0.2363  0.3627  0.8062  1
]