data_[Ce3Pr12H30]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9062]
_cell_length_b [3.9062]
_cell_length_c [47.9365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce(Pr2H5)2]
_chemical_formula_sum '[Ce3 Pr12 H30]'
_cell_volume [633.4346]
_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
  Pr  Pr1  6  0.0000  0.0000  0.2000  1
  Pr  Pr2  6  0.0000  0.0000  0.3995  1
  H  H3  6  0.0000  0.0000  0.0494  1
  H  H4  6  0.0000  0.0000  0.1499  1
  H  H5  6  0.0000  0.0000  0.2500  1
  H  H6  6  0.0000  0.0000  0.3492  1
  H  H7  6  0.0000  0.0000  0.4495  1
]