data_[Pu4Ga2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [6.5417]
_cell_length_b [6.5246]
_cell_length_c [7.7641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pu2GaS4]
_chemical_formula_sum '[Pu4 Ga2 S8]'
_cell_volume [316.3411]
_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  0.2610  0.2500  0.4427  1
  Pu  Pu1  2  0.2802  0.2500  0.9447  1
  Ga  Ga2  2  0.2525  0.7500  0.1896  1
  S  S3  4  0.4983  0.5074  0.7463  1
  S  S4  2  0.0599  0.7500  0.8934  1
  S  S5  2  0.0606  0.7500  0.3889  1
]