data_[Rb8Th4Pa4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7668]
_cell_length_b [10.7668]
_cell_length_c [10.7668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Rb2ThPaS6]
_chemical_formula_sum '[Rb8 Th4 Pa4 S24]'
_cell_volume [1248.1286]
_cell_formula_units_Z [4]
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
  Th  Th1  4  0.0000  0.0000  0.5000  1
  Pa  Pa2  4  0.0000  0.0000  0.0000  1
  S  S3  24  0.0000  0.0000  0.2442  1
]