data_CsPu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   7.36
_cell_angle_alpha   29.33
_cell_angle_beta   29.33
_cell_angle_gamma   29.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPu
_chemical_formula_sum   'Cs1 Pu1'
_cell_volume   84.75
_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
  Cs  Cs0  1  0.0  0.0  0.0  1.0
  Pu  Pu1  1  0.0  0.0  0.56  1.0

data_CsPu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.46
_cell_length_b   3.73
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CsPu
_chemical_formula_sum   'Cs2 Pu2'
_cell_volume   169.5
_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
  Cs  Cs0  2  0.0  0.0  0.0  1.0
  Pu  Pu1  2  0.0  0.0  0.44  1.0

Cs Pu
Cs Pu 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 0 0 o + - 0 0 + - o 0 0 + o - 1 1 o + - 1 1 + - o 1 1 + o - 