data_[Rb8Ba2Pa6S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [10.9262]
_cell_length_b [10.9262]
_cell_length_c [10.9262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Rb4Ba(PaS4)3]
_chemical_formula_sum '[Rb8 Ba2 Pa6 S24]'
_cell_volume [1304.4072]
_cell_formula_units_Z [2]
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  8  0.2500  0.2500  0.2500  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Pa  Pa2  6  0.0000  0.0000  0.5000  1
  S  S3  12  0.0000  0.0000  0.2716  1
  S  S4  12  0.0000  0.2500  0.5000  1
]