data_[Cs2Pu2Ga2S8]
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
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4939]
_cell_length_b [6.6658]
_cell_length_c [9.5954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPuGaS4]
_chemical_formula_sum '[Cs2 Pu2 Ga2 S8]'
_cell_volume [392.1782]
_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  2  0.2574  0.2500  0.0553  1
  Pu  Pu1  2  0.2267  0.2500  0.5496  1
  Ga  Ga2  2  0.2294  0.7500  0.3425  1
  S  S3  4  0.0156  0.5085  0.6872  1
  S  S4  2  0.4306  0.7500  0.1911  1
  S  S5  2  0.4633  0.7500  0.5781  1
]