data_[K4Ti4F20]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6113]
_cell_length_b [7.2177]
_cell_length_c [7.9205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTiF5]
_chemical_formula_sum '[K4 Ti4 F20]'
_cell_volume [507.7051]
_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  0.0000  0.4773  0.2500  1.0
  Ti  Ti1  4  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0249  0.2563  0.9903  1.0
  F  F3  8  0.2060  0.0318  0.5985  1.0
  F  F4  4  0.0000  0.0296  0.2500  1.0
]