data_[Cs4Ti4Ag8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/c]
_cell_length_a [15.9692]
_cell_length_b [14.4763]
_cell_length_c [9.1597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsTi(AgI3)2]
_chemical_formula_sum '[Cs4 Ti4 Ag8 I24]'
_cell_volume [1924.6404]
_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
[
  Cs  Cs0  4  0.0000  0.1691  0.2500  1
  Ti  Ti1  4  0.0000  0.1797  0.7500  1
  Ag  Ag2  8  0.0683  0.4497  0.1320  1
  I  I3  8  0.1148  0.0737  0.6848  1
  I  I4  8  0.1162  0.2786  0.9958  1
  I  I5  8  0.1329  0.4187  0.4683  1
]