data_[Pr24H9C9O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4770]
_cell_length_b [7.4770]
_cell_length_c [18.7871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8H3C3O]
_chemical_formula_sum '[Pr24 H9 C9 O3]'
_cell_volume [909.5910]
_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
[
  Pr  Pr0  18  0.0020  0.5010  0.2579  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2554  1.0
  H  H2  9  0.0000  0.5000  0.5000  1.0
  C  C3  9  0.0000  0.5000  0.0000  1.0
  O  O4  3  0.0000  0.0000  0.0000  1.0
]