data_[Cs1Pu2Zn1Br8]
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
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9681]
_cell_length_b [9.2500]
_cell_length_c [7.1909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsPu2ZnBr8]
_chemical_formula_sum '[Cs1 Pu2 Zn1 Br8]'
_cell_volume [459.9780]
_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  0.5000  0.0000  1
  Pu  Pu1  2  0.5000  0.2367  0.5000  1
  Zn  Zn2  1  0.0000  0.0000  0.0000  1
  Br  Br3  4  0.2365  0.1931  0.1517  1
  Br  Br4  2  0.2741  0.0000  0.6443  1
  Br  Br5  2  0.2888  0.5000  0.6158  1
]