data_K2PuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.46
_cell_angle_alpha   120.01
_cell_angle_beta   120.01
_cell_angle_gamma   60.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PuCl6
_chemical_formula_sum   'K2 Pu1 Cl6'
_cell_volume   290.07
_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
  K  K0  1  0.12  0.0  0.76  1.0
  K  K1  1  0.38  0.0  0.33  1.0
  Pu  Pu2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.14  0.0  0.45  1.0
  Cl  Cl4  1  0.35  0.0  0.63  1.0
  Cl  Cl5  1  0.11  0.86  0.6  1.0
  Cl  Cl6  1  0.39  0.86  0.49  1.0
  Cl  Cl7  1  0.39  0.14  0.49  1.0
  Cl  Cl8  1  0.11  0.14  0.6  1.0

data_K2PuCl6
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.43
_cell_angle_alpha   90.47
_cell_angle_beta   119.67
_cell_angle_gamma   119.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PuCl6
_chemical_formula_sum   'K2 Pu1 Cl6'
_cell_volume   290.07
_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
  K  K0  1  0.05  0.0  0.67  1.0
  K  K1  1  0.36  0.0  0.24  1.0
  Pu  Pu2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.52  0.14  0.4  1.0
  Cl  Cl4  1  0.52  0.86  0.4  1.0
  Cl  Cl5  1  0.7  0.0  0.55  1.0
  Cl  Cl6  1  0.72  0.0  0.37  1.0
  Cl  Cl7  1  0.9  0.14  0.51  1.0
  Cl  Cl8  1  0.9  0.86  0.51  1.0

K K Pu Cl Cl Cl Cl Cl Cl