data_[Cs8Ag8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [17.8343]
_cell_length_b [12.2070]
_cell_length_c [8.4552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsAgI3]
_chemical_formula_sum '[Cs8 Ag8 I24]'
_cell_volume [1790.0014]
_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
[
  Cs  Cs0  4  0.0000  0.0170  0.7500  1
  Cs  Cs1  4  0.0000  0.3655  0.2500  1
  Ag  Ag2  8  0.1712  0.3362  0.8304  1
  I  I3  8  0.1379  0.1877  0.5702  1
  I  I4  8  0.1483  0.1849  0.0693  1
  I  I5  8  0.1629  0.4998  0.0783  1
]