data_[Ce24Nd4S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3865]
_cell_length_b [11.3865]
_cell_length_c [11.3865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ce6NdS8]
_chemical_formula_sum '[Ce24 Nd4 S32]'
_cell_volume [1476.2959]
_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  24  0.0000  0.2500  0.2500  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  S  S2  24  0.0000  0.0000  0.2512  1.0
  S  S3  8  0.2500  0.2500  0.2500  1.0
]