data_[Cs2Ce4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8085]
_cell_length_b [14.7110]
_cell_length_c [6.2753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(CeI4)2]
_chemical_formula_sum '[Cs2 Ce4 I16]'
_cell_volume [893.7821]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  4  0.0000  0.3204  0.0000  1.0
  I  I2  8  0.1908  0.1366  0.0670  1.0
  I  I3  4  0.0000  0.2634  0.5000  1.0
  I  I4  4  0.0900  0.5000  0.2753  1.0
]