data_[K8Ti8]
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
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [10.6567]
_cell_length_b [10.6567]
_cell_length_c [10.6567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [KTi]
_chemical_formula_sum '[K8 Ti8]'
_cell_volume [1210.2390]
_cell_formula_units_Z [8]
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  0.2143  0.2143  0.2143  1
  Ti  Ti1  8  0.0827  0.9173  0.0827  1
]