data_[Ce2H6S6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [9.7553]
_cell_length_b [9.7553]
_cell_length_c [5.9593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [CeH3(SO4)3]
_chemical_formula_sum '[Ce2 H6 S6 O24]'
_cell_volume [491.1392]
_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
[
  Ce  Ce0  2  0.3333  0.6667  0.2440  1
  H  H1  6  0.0561  0.2175  0.3453  1
  S  S2  6  0.0978  0.6943  0.7485  1
  O  O3  6  0.0320  0.8168  0.7390  1
  O  O4  6  0.0372  0.4644  0.2496  1
  O  O5  6  0.1925  0.7331  0.9529  1
  O  O6  6  0.1931  0.7366  0.5442  1
]