data_[K6Ti3Ag3I18]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2986]
_cell_length_b [8.2986]
_cell_length_c [21.7158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2TiAgI6]
_chemical_formula_sum '[K6 Ti3 Ag3 I18]'
_cell_volume [1295.1481]
_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  0.4543  1
  K  K1  3  0.0000  0.0000  0.9673  1
  Ti  Ti2  3  0.0000  0.0000  0.6738  1
  Ag  Ag3  3  0.0000  0.0000  0.2593  1
  I  I4  9  0.0268  0.4227  0.4082  1
  I  I5  9  0.0897  0.7193  0.2530  1
]