data_[Pu2Np2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8348]
_cell_length_b [4.0050]
_cell_length_c [13.0442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PuNpCl5]
_chemical_formula_sum '[Pu2 Np2 Cl10]'
_cell_volume [408.8681]
_cell_formula_units_Z [2]
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  0.0846  0.2500  0.1447  1
  Np  Np1  2  0.4372  0.7500  0.3482  1
  Cl  Cl2  2  0.0727  0.7500  0.3071  1
  Cl  Cl3  2  0.1474  0.2500  0.9305  1
  Cl  Cl4  2  0.3177  0.2500  0.4796  1
  Cl  Cl5  2  0.3482  0.7500  0.1322  1
  Cl  Cl6  2  0.3548  0.7500  0.7146  1
]