data_[Pr4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8073]
_cell_length_b [4.0872]
_cell_length_c [6.6183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrO2]
_chemical_formula_sum '[Pr4 O8]'
_cell_volume [182.4339]
_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  4  0.1980  0.5000  0.2306  1.0
  O  O1  4  0.0780  0.0000  0.4292  1.0
  O  O2  4  0.1527  0.5000  0.8590  1.0
]