data_[Ce18Si3Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9926]
_cell_length_b [6.9926]
_cell_length_c [29.9728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce6SiCl8]
_chemical_formula_sum '[Ce18 Si3 Cl24]'
_cell_volume [1269.2059]
_cell_formula_units_Z [3]
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  18  0.0002  0.3345  0.9455  1
  Si  Si1  3  0.0000  0.0000  0.0000  1
  Cl  Cl2  18  0.0003  0.3271  0.1109  1
  Cl  Cl3  6  0.0000  0.0000  0.3334  1
]