data_[Cs4Nd4S8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0750]
_cell_length_b [10.3470]
_cell_length_c [8.2333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNd(SO3)2]
_chemical_formula_sum '[Cs4 Nd4 S8 O24]'
_cell_volume [711.5752]
_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
[
  Cs  Cs0  4  0.0000  0.1510  0.2500  1.0
  Nd  Nd1  4  0.0000  0.4417  0.7500  1.0
  S  S2  8  0.2199  0.1212  0.7918  1.0
  O  O3  8  0.1013  0.3927  0.0679  1.0
  O  O4  8  0.1855  0.2660  0.7612  1.0
  O  O5  8  0.2453  0.0686  0.6287  1.0
]