data_[Cs1Sr1Pu2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2725]
_cell_length_b [4.2725]
_cell_length_c [11.0707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CsSrPu2O7]
_chemical_formula_sum '[Cs1 Sr1 Pu2 O7]'
_cell_volume [202.0823]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Pu  Pu2  2  0.5000  0.5000  0.1905  1
  O  O3  4  0.0000  0.5000  0.1637  1
  O  O4  2  0.5000  0.5000  0.3618  1
  O  O5  1  0.5000  0.5000  0.0000  1
]