data_[Cs4Pu2Sn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pu  1.2800  1.7500  0.9675
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.4077]
_cell_length_b [11.8797]
_cell_length_c [8.4000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2PuSnBr6]
_chemical_formula_sum '[Cs4 Pu2 Sn2 Br12]'
_cell_volume [839.0000]
_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
[
  Cs  Cs0  4  0.0000  0.2506  0.7492  1
  Pu  Pu1  2  0.0000  0.5000  0.2529  1
  Sn  Sn2  2  0.0000  0.0000  0.2473  1
  Br  Br3  4  0.0000  0.2530  0.2522  1
  Br  Br4  4  0.2454  0.5000  0.5014  1
  Br  Br5  4  0.2478  0.5000  0.0067  1
]