data_[Ce4Dy4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3863]
_cell_length_b [3.9832]
_cell_length_c [15.2902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeDyS3]
_chemical_formula_sum '[Ce4 Dy4 S12]'
_cell_volume [449.8524]
_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  0.1404  0.2500  0.7970  1.0
  Dy  Dy1  4  0.2334  0.7500  0.5437  1.0
  S  S2  4  0.0111  0.2500  0.6055  1.0
  S  S3  4  0.1257  0.7500  0.9361  1.0
  S  S4  4  0.1487  0.2500  0.2176  1.0
]