data_[Ce12Si4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6105]
_cell_length_b [13.1459]
_cell_length_c [7.8079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3SiI2]
_chemical_formula_sum '[Ce12 Si4 I8]'
_cell_volume [739.2555]
_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
[
  Ce  Ce0  8  0.2477  0.3216  0.7827  1.0
  Ce  Ce1  4  0.2104  0.5000  0.2082  1.0
  Si  Si2  4  0.0000  0.3313  0.0000  1.0
  I  I3  4  0.0000  0.1570  0.5000  1.0
  I  I4  2  0.0000  0.0000  0.0000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]