data_[K4Ti4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0963]
_cell_length_b [15.0769]
_cell_length_c [6.2170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTiCl4]
_chemical_formula_sum '[K4 Ti4 Cl16]'
_cell_volume [820.7257]
_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  0.2597  0.7500  1.0
  Ti  Ti1  4  0.0000  0.0550  0.2500  1.0
  Cl  Cl2  8  0.1563  0.0603  0.6459  1.0
  Cl  Cl3  8  0.1703  0.1659  0.1846  1.0
]