data_[Ce2Ag6I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8276]
_cell_length_b [8.7256]
_cell_length_c [8.9413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeAg3I8]
_chemical_formula_sum '[Ce2 Ag6 I16]'
_cell_volume [956.1273]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.2500  0.2500  0.0000  1
  Ag  Ag2  2  0.0000  0.5000  0.0000  1
  I  I3  8  0.0013  0.2425  0.7541  1
  I  I4  4  0.2324  0.5000  0.1960  1
  I  I5  4  0.2465  0.0000  0.2567  1
]