data_[Ce4Pr24S32]
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 [Fm-3m]
_cell_length_a [11.5897]
_cell_length_b [11.5897]
_cell_length_c [11.5897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ce(Pr3S4)2]
_chemical_formula_sum '[Ce4 Pr24 S32]'
_cell_volume [1556.7562]
_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
[
  Ce  Ce0  4  0.0000  0.0000  0.0000  1
  Pr  Pr1  24  0.0000  0.2500  0.2500  1
  S  S2  24  0.0000  0.0000  0.2468  1
  S  S3  8  0.2500  0.2500  0.2500  1
]