data_[Pr8C8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5831]
_cell_length_b [4.3366]
_cell_length_c [6.6949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2C2O]
_chemical_formula_sum '[Pr8 C8 O4]'
_cell_volume [371.3090]
_cell_formula_units_Z [4]
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  8  0.1307  0.3378  0.0900  1
  C  C1  8  0.2254  0.1284  0.5209  1
  O  O2  4  0.0000  0.4854  0.7500  1
]