data_[K2Pu2Al2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8310]
_cell_length_b [3.4628]
_cell_length_c [8.1226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KPuAlN3]
_chemical_formula_sum '[K2 Pu2 Al2 N6]'
_cell_volume [212.8994]
_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
[
  K  K0  2  0.1996  0.7500  0.2181  1
  Pu  Pu1  2  0.3428  0.2500  0.8484  1
  Al  Al2  2  0.0904  0.7500  0.6003  1
  N  N3  2  0.1510  0.2500  0.5355  1
  N  N4  2  0.1660  0.7500  0.8406  1
  N  N5  2  0.4807  0.2500  0.1290  1
]