data_PrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrO2
_chemical_formula_sum   'Pr2 O4'
_cell_volume   108.16
_cell_formula_units_Z   2
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  Pr4  1  0.0  0.0  0.0  1.0
  Pr  Pr5  1  0.69  0.69  0.87  1.0
  O  O0  1  0.66  0.66  0.0  1.0
  O  O1  1  0.73  0.73  0.0  1.0
  O  O2  1  0.35  0.03  0.87  1.0
  O  O3  1  0.03  0.35  0.87  1.0

data_PrO2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PrO2
_chemical_formula_sum   'Pr4 O8'
_cell_volume   216.32
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pr  Pr1  2  0.19  0.5  0.87  1.0
  O  O2  4  0.19  0.16  0.87  1.0
  O  O3  2  0.16  0.5  -0.0  1.0
  O  O4  2  0.23  0.5  -0.0  1.0

Pr Pr O O O O
Pr Pr O O O O 0 3 - - o 0 5 o o - 0 4 o o - 1 2 o o + 1 3 o o + 2 3 o o o 4 5 o o o 