data_[Tb6Ce4Pu2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3232]
_cell_length_b [3.9513]
_cell_length_c [7.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Ce2PuS6]
_chemical_formula_sum '[Tb6 Ce4 Pu2 S12]'
_cell_volume [529.7683]
_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
[
  Tb  Tb0  4  0.1666  0.0000  0.8335  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  4  0.1667  0.0000  0.3338  1
  Pu  Pu3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0019  0.0000  0.7495  1
  S  S5  4  0.1642  0.5000  0.5891  1
  S  S6  4  0.1672  0.5000  0.0776  1
]