data_[Pu3Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.6551]
_cell_length_b [8.6551]
_cell_length_c [17.8539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Pu3Cl10]
_chemical_formula_sum '[Pu3 Cl10]'
_cell_volume [1158.2692]
_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
[
  Pu  Pu0  2  0.3333  0.6667  0.4730  1
  Pu  Pu1  1  0.0000  0.0000  0.5456  1
  Cl  Cl2  6  0.1979  0.3958  0.5645  1
  Cl  Cl3  3  0.0000  0.5000  0.4047  1
  Cl  Cl4  1  0.0000  0.0000  0.4070  1
]