data_[Cs4Ce4I16]
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/c]
_cell_length_a [11.0821]
_cell_length_b [16.1800]
_cell_length_c [7.8305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsCeI4]
_chemical_formula_sum '[Cs4 Ce4 I16]'
_cell_volume [1231.6204]
_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  0.3643  0.7500  1.0
  Ce  Ce1  4  0.0000  0.0003  0.7500  1.0
  I  I2  8  0.1014  0.1550  0.0699  1.0
  I  I3  8  0.2404  0.4368  0.3246  1.0
]