data_[Cs4Ce2Pr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/m]
_cell_length_a [7.3083]
_cell_length_b [12.5936]
_cell_length_c [8.6154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ce(PrS3)2]
_chemical_formula_sum '[Cs4 Ce2 Pr4 S12]'
_cell_volume [759.6915]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  4  0.0000  0.1692  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  4  0.0000  0.3340  0.5000  1.0
  S  S3  8  0.2200  0.1615  0.6792  1.0
  S  S4  4  0.2431  0.5000  0.6791  1.0
]