data_[Ac1Pu2Pa1S8]
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
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2670]
_cell_length_b [8.4731]
_cell_length_c [6.3176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AcPu2PaS8]
_chemical_formula_sum '[Ac1 Pu2 Pa1 S8]'
_cell_volume [335.4718]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Pu  Pu1  2  0.5000  0.2471  0.5000  1
  Pa  Pa2  1  0.0000  0.0000  0.0000  1
  S  S3  4  0.2387  0.2243  0.1563  1
  S  S4  2  0.2738  0.0000  0.6604  1
  S  S5  2  0.2764  0.5000  0.6202  1
]