data_PrPu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   33.6
_cell_angle_beta   33.6
_cell_angle_gamma   33.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrPu
_chemical_formula_sum   'Pr1 Pu1'
_cell_volume   62.65
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Pu  Pu1  1  0.0  0.0  0.66  1.0

data_PrPu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   3.54
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   109.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PrPu
_chemical_formula_sum   'Pr2 Pu2'
_cell_volume   125.3
_cell_formula_units_Z   2
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
  Pu  Pu1  2  0.0  0.0  0.34  1.0

Pr Pu