data_[Cs6Na3Pa9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1861]
_cell_length_b [8.1861]
_cell_length_c [25.6608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2NaPa3S8]
_chemical_formula_sum '[Cs6 Na3 Pa9 S24]'
_cell_volume [1489.2235]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.1364  1
  Cs  Cs1  3  0.0000  0.0000  0.4897  1
  Na  Na2  3  0.0000  0.0000  0.9801  1
  Pa  Pa3  9  0.1680  0.3360  0.3233  1
  S  S4  9  0.0302  0.5151  0.2667  1
  S  S5  9  0.1778  0.3557  0.0451  1
  S  S6  3  0.0000  0.0000  0.2690  1
  S  S7  3  0.0000  0.0000  0.7124  1
]