data_[Sr4Pu4Pa8N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7916]
_cell_length_b [6.7916]
_cell_length_c [12.3417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [SrPuPa2N5]
_chemical_formula_sum '[Sr4 Pu4 Pa8 N20]'
_cell_volume [569.2764]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.2500  1
  Pu  Pu1  4  0.0000  0.5000  0.2500  1
  Pa  Pa2  8  0.1784  0.3216  0.0000  1
  N  N3  16  0.1538  0.3462  0.6200  1
  N  N4  4  0.0000  0.0000  0.0000  1
]