data_[K4Ti4B4O16]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5965]
_cell_length_b [7.5965]
_cell_length_c [7.5965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [KTiBO4]
_chemical_formula_sum '[K4 Ti4 B4 O16]'
_cell_volume [438.3650]
_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  0.2500  0.2500  0.7500  1.0
  Ti  Ti1  4  0.0000  0.0000  0.5000  1.0
  B  B2  4  0.2500  0.2500  0.2500  1.0
  O  O3  16  0.1375  0.1375  0.3625  1.0
]