data_[Cs1Pu2Cr1Cl8]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7177]
_cell_length_b [8.8026]
_cell_length_c [6.8328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsPu2CrCl8]
_chemical_formula_sum '[Cs1 Pu2 Cr1 Cl8]'
_cell_volume [400.2851]
_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  0.2365  0.5000  1
  Cr  Cr2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.2266  0.1900  0.1645  1
  Cl  Cl4  2  0.2899  0.0000  0.6494  1
  Cl  Cl5  2  0.3026  0.5000  0.6239  1
]