data_[Ce18S24Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.4722]
_cell_length_b [8.4722]
_cell_length_c [17.7811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce6S8Cl]
_chemical_formula_sum '[Ce18 S24 Cl3]'
_cell_volume [1105.2951]
_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  0.0036  0.3492  0.9270  1.0
  S  S1  18  0.0039  0.3242  0.1008  1.0
  S  S2  6  0.0000  0.0000  0.3320  1.0
  Cl  Cl3  3  0.0000  0.0000  0.0000  1.0
]