data_PrPu2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93
_cell_length_b   7.93
_cell_length_c   7.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrPu2O4
_chemical_formula_sum   'Pr2 Pu4 O8'
_cell_volume   352.84
_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  Pr8  1  0.0  0.0  0.0  1.0
  Pr  Pr9  1  0.8  0.8  0.8  1.0
  Pu  Pu10  1  0.21  0.21  0.01  1.0
  Pu  Pu11  1  0.01  0.21  0.21  1.0
  Pu  Pu12  1  0.21  0.01  0.21  1.0
  Pu  Pu13  1  0.01  0.01  0.01  1.0
  O  O0  1  0.3  0.92  0.92  1.0
  O  O1  1  0.3  0.3  0.3  1.0
  O  O2  1  0.92  0.3  0.92  1.0
  O  O3  1  0.1  0.1  0.73  1.0
  O  O4  1  0.92  0.92  0.3  1.0
  O  O5  1  0.1  0.73  0.1  1.0
  O  O6  1  0.73  0.73  0.73  1.0
  O  O7  1  0.73  0.1  0.1  1.0

data_PrPu2O4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.93
_cell_length_b   7.93
_cell_length_c   19.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PrPu2O4
_chemical_formula_sum   'Pr6 Pu12 O24'
_cell_volume   1058.51
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Pr  Pr1  3  0.0  0.0  0.2  1.0
  Pu  Pu2  9  0.13  0.07  0.86  1.0
  Pu  Pu3  3  0.0  0.0  0.99  1.0
  O  O4  9  0.08  0.54  0.62  1.0
  O  O5  9  0.21  0.42  0.69  1.0
  O  O6  3  0.0  0.0  0.27  1.0
  O  O7  3  0.0  0.0  0.7  1.0

Pr Pr Pu Pu Pu Pu O O O O O O O O
Pr Pr Pu Pu Pu Pu O O O O O O O O 0 5 o o o 0 6 o - - 0 8 - o - 0 9 o o - 0 10 - - o 0 11 o - o 0 13 - o o 1 12 o o o 2 4 o o o 2 3 o o o 2 7 o o o 3 4 o o o 3 7 o o o 4 7 o o o 5 6 o - - 5 8 - o - 5 9 o o - 5 10 - - o 5 11 o - o 5 13 - o o 6 11 o o + 6 9 o + o 7 9 o o o 7 11 o o o 7 13 o o o 8 13 o o + 8 9 + o o 10 13 o + o 10 11 + o o 