data_[Sr2Pu1Ru1O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7633]
_cell_length_b [5.8085]
_cell_length_c [5.8276]
_cell_angle_alpha [60.7434]
_cell_angle_beta [61.0445]
_cell_angle_gamma [60.2948]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2PuRuO6]
_chemical_formula_sum '[Sr2 Pu1 Ru1 O6]'
_cell_volume [140.0942]
_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
[
  Sr  Sr0  2  0.2580  0.7486  0.2348  1
  Pu  Pu1  1  0.5000  0.0000  0.5000  1
  Ru  Ru2  1  0.0000  0.5000  0.0000  1
  O  O3  2  0.1515  0.2705  0.3219  1
  O  O4  2  0.2750  0.2028  0.8216  1
  O  O5  2  0.2920  0.6850  0.7995  1
]