data_[Pu8Ge2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.9491]
_cell_length_b [8.0487]
_cell_length_c [6.9810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Pu4GeS3]
_chemical_formula_sum '[Pu8 Ge2 S6]'
_cell_volume [368.0619]
_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  4  0.2519  0.3802  0.0052  1
  Pu  Pu1  4  0.2596  0.1292  0.4989  1
  Ge  Ge2  2  0.0000  0.1271  0.7500  1
  S  S3  2  0.0000  0.3754  0.2500  1
  S  S4  2  0.5000  0.1272  0.2500  1
  S  S5  2  0.5000  0.3758  0.7500  1
]