data_[Rb4Al8P4S24]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2310]
_cell_length_b [13.7087]
_cell_length_c [7.2305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbAl2PS6]
_chemical_formula_sum '[Rb4 Al8 P4 S24]'
_cell_volume [1082.3338]
_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  0.0000  0.1565  0.7500  1.0
  Al  Al1  8  0.2477  0.0750  0.4074  1.0
  P  P2  4  0.0000  0.2890  0.2500  1.0
  S  S3  8  0.0572  0.3748  0.5143  1.0
  S  S4  8  0.1436  0.2179  0.2330  1.0
  S  S5  8  0.1879  0.0309  0.6420  1.0
]