data_[Ce6Pr18O36]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1796]
_cell_length_b [10.1796]
_cell_length_c [11.9579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CePr3O6]
_chemical_formula_sum '[Ce6 Pr18 O36]'
_cell_volume [1073.1134]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.0000  1
  Ce  Ce1  3  0.0000  0.0000  0.5000  1
  Pr  Pr2  18  0.0372  0.7725  0.7114  1
  O  O3  18  0.0281  0.8419  0.3715  1
  O  O4  18  0.0287  0.8086  0.9058  1
]