data_[Ac6Pu3Cu6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0907]
_cell_length_b [7.0907]
_cell_length_c [19.5756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Pu(CuS3)2]
_chemical_formula_sum '[Ac6 Pu3 Cu6 S18]'
_cell_volume [852.3516]
_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
[
  Ac  Ac0  6  0.0000  0.0000  0.2087  1
  Pu  Pu1  3  0.0000  0.0000  0.0000  1
  Cu  Cu2  6  0.0000  0.0000  0.4287  1
  S  S3  18  0.0212  0.5106  0.7604  1
]