data_[Pr1Pu1Cu2Se2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0098]
_cell_length_b [4.0098]
_cell_length_c [8.7626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PrPuCu2(SeO)2]
_chemical_formula_sum '[Pr1 Pu1 Cu2 Se2 O2]'
_cell_volume [140.8879]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.8572  1
  Pu  Pu1  1  0.5000  0.5000  0.1352  1
  Cu  Cu2  2  0.0000  0.5000  0.4998  1
  Se  Se3  1  0.0000  0.0000  0.3300  1
  Se  Se4  1  0.5000  0.5000  0.6749  1
  O  O5  2  0.0000  0.5000  0.0016  1
]