data_[Rb3Tb12Pu3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tb  1.1000  1.7500  0.9815
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2948]
_cell_length_b [8.2948]
_cell_length_c [20.5250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [RbTb4PuS8]
_chemical_formula_sum '[Rb3 Tb12 Pu3 S24]'
_cell_volume [1222.9842]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  3  0.0000  0.0000  0.3753  1
  Tb  Tb1  9  0.1722  0.3445  0.8326  1
  Tb  Tb2  3  0.0000  0.0000  0.6256  1
  Pu  Pu3  3  0.0000  0.0000  0.0032  1
  S  S4  9  0.0523  0.5261  0.7570  1
  S  S5  9  0.1749  0.3498  0.5794  1
  S  S6  3  0.0000  0.0000  0.2317  1
  S  S7  3  0.0000  0.0000  0.7573  1
]