data_[Ce3Pr9S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2517]
_cell_length_b [7.2517]
_cell_length_c [19.0234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ce(PrS2)3]
_chemical_formula_sum '[Ce3 Pr9 S18]'
_cell_volume [866.3682]
_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  3  0.0000  0.0000  0.8525  1.0
  Pr  Pr1  3  0.0000  0.0000  0.1461  1.0
  Pr  Pr2  3  0.0000  0.0000  0.3541  1.0
  Pr  Pr3  3  0.0000  0.0000  0.6452  1.0
  S  S4  9  0.0397  0.3702  0.9169  1.0
  S  S5  9  0.0403  0.6676  0.4171  1.0
]