data_[Sr4Pu8Ru4N16]
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
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4983]
_cell_length_b [11.7239]
_cell_length_c [12.0064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrPu2RuN4]
_chemical_formula_sum '[Sr4 Pu8 Ru4 N16]'
_cell_volume [492.4226]
_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  0.0799  0.7500  1
  Pu  Pu1  8  0.0000  0.3687  0.5507  1
  Ru  Ru2  4  0.0000  0.1835  0.2500  1
  N  N3  8  0.0000  0.2514  0.0979  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4088  0.7500  1
]