data_[Ce3Pr12O30]
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-3m]
_cell_length_a [4.0206]
_cell_length_b [4.0206]
_cell_length_c [48.9562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CePr4O10]
_chemical_formula_sum '[Ce3 Pr12 O30]'
_cell_volume [685.3680]
_cell_formula_units_Z [3]
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  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2006  1.0
  Pr  Pr2  6  0.0000  0.0000  0.3984  1.0
  O  O3  6  0.0000  0.0000  0.0467  1.0
  O  O4  6  0.0000  0.0000  0.1499  1.0
  O  O5  6  0.0000  0.0000  0.2506  1.0
  O  O6  6  0.0000  0.0000  0.3473  1.0
  O  O7  6  0.0000  0.0000  0.4496  1.0
]