data_[Pu2Pb2Br2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1068]
_cell_length_b [4.0433]
_cell_length_c [8.3818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PuPbBrO2]
_chemical_formula_sum '[Pu2 Pb2 Br2 O4]'
_cell_volume [229.3812]
_cell_formula_units_Z [2]
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
[
  Pu  Pu0  2  0.3402  0.2500  0.0785  1
  Pb  Pb1  2  0.3221  0.2500  0.5714  1
  Br  Br2  2  0.0461  0.7500  0.8161  1
  O  O3  2  0.4878  0.2500  0.3658  1
  O  O4  2  0.4915  0.7500  0.1144  1
]