data_[K3Ti3Be6F24]
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
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [4.9377]
_cell_length_b [4.9377]
_cell_length_c [24.3262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KTiBe2F8]
_chemical_formula_sum '[K3 Ti3 Be6 F24]'
_cell_volume [513.6379]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  3  0.0000  0.0000  0.5000  1.0
  Be  Be2  6  0.0000  0.0000  0.2431  1.0
  F  F3  18  0.0109  0.4037  0.8848  1.0
  F  F4  6  0.0000  0.0000  0.3043  1.0
]