data_[Pm4Pu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pu  1.2800  1.7500  0.9675
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8612]
_cell_length_b [8.7873]
_cell_length_c [9.9531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PmPuCl5]
_chemical_formula_sum '[Pm4 Pu4 Cl20]'
_cell_volume [950.5602]
_cell_formula_units_Z [4]
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
[
  Pm  Pm0  4  0.0000  0.4597  0.2500  1
  Pu  Pu1  4  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0198  0.3210  0.9570  1
  Cl  Cl3  8  0.2465  0.4541  0.3553  1
  Cl  Cl4  4  0.0000  0.1409  0.2500  1
]