data_[La8Ce4Si8S32I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1328]
_cell_length_b [7.9887]
_cell_length_c [11.0253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2CeSi2S8I]
_chemical_formula_sum '[La8 Ce4 Si8 S32 I4]'
_cell_volume [1406.7703]
_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
[
  La  La0  8  0.1982  0.1223  0.1807  1
  Ce  Ce1  4  0.0000  0.4063  0.7500  1
  Si  Si2  8  0.1591  0.4625  0.5294  1
  S  S3  8  0.0686  0.3479  0.0431  1
  S  S4  8  0.1430  0.2569  0.6462  1
  S  S5  8  0.1500  0.4010  0.3392  1
  S  S6  8  0.2190  0.0666  0.9148  1
  I  I7  4  0.0000  0.0119  0.2500  1
]