data_[Na3Ac6Pa3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ac  1.1000  1.9500  1.2600
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3236]
_cell_length_b [7.3236]
_cell_length_c [18.7404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaAc2PaS6]
_chemical_formula_sum '[Na3 Ac6 Pa3 S18]'
_cell_volume [870.4871]
_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
[
  Na  Na0  3  0.0000  0.0000  0.1898  1
  Ac  Ac1  3  0.0000  0.0000  0.4689  1
  Ac  Ac2  3  0.0000  0.0000  0.9767  1
  Pa  Pa3  3  0.0000  0.0000  0.6794  1
  S  S4  9  0.0549  0.3352  0.7518  1
  S  S5  9  0.0647  0.6878  0.2561  1
]