data_[Rb4Al4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.6475]
_cell_length_b [10.1623]
_cell_length_c [6.5764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [RbAlS2]
_chemical_formula_sum '[Rb4 Al4 S8]'
_cell_volume [444.2604]
_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  4  0.0165  0.6231  0.5303  1.0
  Al  Al1  4  0.0354  0.8747  0.9958  1.0
  S  S2  4  0.0215  0.9317  0.6596  1.0
  S  S3  4  0.1415  0.3111  0.5641  1.0
]